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CHEBI:77431 - 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide

ChEBI IDCHEBI:77431
ChEBI Name1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
Stars
ASCII Name1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
DefinitionA piperidinecarboxamide obtained by formal condensation of the carboxy group of N-butylpipecolic acid with the amino group of 2,6-dimethylaniline.
Last Modified8 January 2016
SubmitterSteve
DownloadsMolfile
FormulaC18H28N2O
Net Charge0
Average Mass288.435
Monoisotopic Mass288.22016
SMILESCCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
InChIKeyLEBVLXFERQHONN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (CHEBI:77431) is a aromatic amide (CHEBI:62733)
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (CHEBI:77431) is a piperidinecarboxamide (CHEBI:48592)
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (CHEBI:77431) is a tertiary amino compound (CHEBI:50996)
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (CHEBI:77431) is conjugate base of 1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium (CHEBI:77457)
Incoming Relation(s)
dextrobupivacaine (CHEBI:60790) is a 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (CHEBI:77431)
levobupivacaine (CHEBI:6149) is a 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (CHEBI:77431)
1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium (CHEBI:77457) is conjugate acid of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (CHEBI:77431)
IUPAC Name 
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
INNs  Source
bupivacainumChemIDplus
bupivacainaChemIDplus
Synonyms  Source
MarcaineKEGG COMPOUND
DL-BupivacaineChemIDplus
Manual XrefsDatabases
D07552KEGG DRUG
C07529KEGG COMPOUND
Registry NumbersSources
CAS:38396-39-3ChemIDplus