Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67967
- Core Entity Id
- 130616
- Source Entity Count
- 1
- Preferred Name
- 3-amino-2-piperidinone
- Name En
- Pubchem Id
- 5200225
- Smiles Canonical
- C1CC(C(=O)NC1)N
- Molecular Formula
- C5H10N2O
- Molecular Weight
- 114.0800
- Inchikey
- YCCMTCQQDULIFE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.8000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 55.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-amino-2-piperidinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-amino-2-piperidinone
Itcmdb Generated
ITX-INGREDIENT-B10653FC354C
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
114.080
Molecular Formula
C5H10N2O
Fda Maximum Daily Dose (Fdamdd)
0.089
Quantitative Estimate Of Drug Likeness（Qed）
0.434