Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 10Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3752
- Core Entity Id
- 7357
- Source Entity Count
- 1
- Preferred Name
- 3-acetamino-2-piperidone
- Name En
- Pubchem Id
- 68907166
- Smiles Canonical
- CC(=O)NC1CCCNC1=O
- Molecular Formula
- C7H12N2O2
- Molecular Weight
- 156.1850
- Inchikey
- NXGOJJKVSDOOGU-ZCFIWIBFSA-N
- Inchi
- InChI=1S/C7H12N2O2/c1-5(10)9-6-3-2-4-8-7(6)11/h6H,2-4H2,1H3,(H,8,11)(H,9,10)/t6-/m1/s1
- Isomeric Smiles
- CC(=O)N[C@@H]1CCCNC1=O
- Cas Id
- Ob Score
- 62.0080
- Mol Logp
- -0.5989
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5320
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Acetamino-2-Piperidone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Acetamino-2-Piperidone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-acetamino-2-piperidone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-acetamino-2-piperidone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-acetamino-2-piperidone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-acetamino-2-piperidone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
SCHEMBL4087770
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4087770
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL4087770
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007853
Tcmsp
MOL013139
Sym Map
SMIT13831
Pub Chem
68907166
Tcmbank
TCMBANKIN009291
Etcm Ingredient
3-acetamino-2-piperidone
Itcmdb Generated
ITX-INGREDIENT-B7CB720EFD81
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H12N2O2/c1-5(10)9-6-3-2-4-8-7(6)11/h6H,2-4H2,1H3,(H,8,11)(H,9,10)/t6-/m1/s1
Mol Wt
156.185
Mol Log P
-0.5988999999999995
Version
v1,v2
In Ch Ikey
NXGOJJKVSDOOGU-ZCFIWIBFSA-N
Ob Score
62.00862.0083249862.008325
Suppress
0
Num Hdonors
2
Drug Likeness
0.532
Num Hacceptors
2
Isomeric Smiles
CC(=O)N[C@@H]1CCCNC1=O
Molecule Weight
156.21
Canonical Smiles
CC(=O)NC1CCCNC1=O
Herb Alias Names
SCHEMBL4087770
Molecular Weight
156.090
Molecular Weight
156.21
Molecular Formula
C7H12N2O2
Molecular Formula
C7H12N2O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.067
Quantitative Estimate Of Drug Likeness（Qed）
0.532