Molecular Identity
Bupivacaine (USAN:INN:BAN)
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
PubChem CID: 2474
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide is a piperidinecarboxamide obtained by formal condensation of the carboxy group of N-butylpipecolic acid with the amino group of 2,6-dimethylaniline. It is a piperidinecarboxamide, a tertiary amino compound and an aromatic amide. It is a conjugate base of a 1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium.
2D Structure
Properties
C18H28N2O
Molecular Formula
288.40
Molecular Weight
g/mol
288.2202
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
32.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
321
Complexity
SMILES
Canonical SMILES
SMILES: CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)CIsomeric SMILES
SMILES: CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)CSynonyms(20)
Bupivacaine [USAN:INN:BAN]2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, (+-)-Bupivacaine (USAN:INN:BAN)RefChem:1080208bupivacaine1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide2180-92-938396-39-3DL-BupivacaineBupivacainaAnekain(+-)-BupivacaineBupivacainum1-Butyl-2',6'-pipecoloxylidideBupivacainum [INN-Latin]
Data from PubChem (NCBI)
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Drug Network
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