Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 7Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27759
- Core Entity Id
- 34038
- Source Entity Count
- 1
- Preferred Name
- N-methylvalerolactam
- Name En
- Pubchem Id
- 13603
- Smiles Canonical
- CN1CCCCC1=O
- Molecular Formula
- C6H11NO
- Molecular Weight
- 113.1600
- Inchikey
- GGYVTHJIUNGKFZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1H3
- Isomeric Smiles
- CN1CCCCC1=O
- Cas Id
- 931-20-4
- Ob Score
- 82.4518
- Mol Logp
- 0.6287
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-Methylvalerolactam
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
N-Methylvalerolactam
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N-Methylvalerolactam
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N-Methylvalerolactam
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-methylvalerolactam
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N-methylvalerolactam
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-Methyl-2-piperidinone
Role
alias
Source
TCMBank
Preferred
No
Name
1-Methyl-2-piperidinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methyl-2-piperidinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methyl-2-piperidone
Role
alias
Source
TCMBank
Preferred
No
Name
1-Methyl-2-piperidone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methyl-2-piperidone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methylpiperidin-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methylpiperidin-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methylpiperidine-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
1-methylpiperidin-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
2-Piperidinone, 1-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Piperidinone, 1-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Piperidinone, 1-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Piperidone, 1-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Piperidone, 1-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Piperidone, 1-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
5-21-06-00398 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
68876_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
931-20-4
Role
alias
Source
HERB_v2
Preferred
No
Name
931-20-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
931-20-4
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-11535
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0001708
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 213-231-9
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1H
Role
alias
Source
TCMBank
Preferred
No
Name
M73788_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
N-METHYL-2-PIPERIDINONE
Role
alias
Source
HERB_v2
Preferred
No
Name
N-METHYL-2-PIPERIDINONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methyl-.delta.-valerolactam
Role
alias
Source
TCMBank
Preferred
No
Name
N-Methyl-2-piperidinone
Role
alias
Source
TCMBank
Preferred
No
Name
N-Methyl-2-piperidone
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methyl-2-piperidone
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methyl-2-piperidone
Role
alias
Source
TCMBank
Preferred
No
Name
N-methylpiperidone
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-methylpiperidone
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC67384
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Methyl-2-piperidinone1-Methyl-2-piperidone1-Methylpiperidin-2-one1-Methylpiperidine-2-one2-Piperidinone, 1-methyl-2-Piperidone, 1-methyl-5-21-06-00398 (Beilstein Handbook Reference)68876_FLUKA931-20-4AI3-11535BRN 0001708EINECS 213-231-9InChI=1/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1HM73788_ALDRICHN-METHYL-2-PIPERIDINONEN-Methyl-.delta.-valerolactamN-Methyl-2-piperidoneN-methylpiperidoneNSC67384
Cross References
Trusted external identifiers retained for this final record.
Cas
931-20-4
Herb
HBIN037130
Tcmsp
MOL004469
Sym Map
SMIT06389
Pub Chem
13603
Tcmbank
TCMBANKIN017626
Etcm Ingredient
N-Methylvalerolactam
Itcmdb Generated
ITX-INGREDIENT-43243A13D019
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1H3
Mol Wt
113.16
Cas Id
931-20-4
Smiles
CN1CCCCC1=O
Mol Log P
0.6287
Version
v1,v2
In Ch Ikey
GGYVTHJIUNGKFZ-UHFFFAOYSA-N
Ob Score
82.45177382.451773282.452
Suppress
0
Num Hdonors
0
Drug Likeness
0.451
Num Hacceptors
1
Isomeric Smiles
CN1CCCCC1=O
Molecule Weight
113.18
Canonical Smiles
CN1CCCCC1=O
Herb Alias Names
1-Methylpiperidin-2-one1-Methyl-2-piperidone931-20-4N-Methyl-2-piperidone2-Piperidinone, 1-methyl-1-Methyl-2-piperidinone2-Piperidone, 1-methyl-N-methylpiperidoneN-METHYL-2-PIPERIDINONE
Molecular Weight
113.080
Molecular Weight
113.16
Molecular Formula
C6H11NO
Molecular Formula
C6H11NO
Molecular Formula
C6H11NO
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.104
Quantitative Estimate Of Drug Likeness（Qed）
0.451