Summary

IMPPAT Phytochemical identifier: IMPHY017003

Phytochemical name: 1-Acetylpiperidine

Synonymous chemical names:
1-acetylpiperidine

External chemical identifiers:
CID:12058, ChEMBL:CHEMBL12196, ChEBI:36591, ZINC:ZINC000000392996, SureChEMBL:SCHEMBL8053, MolPort-000-165-658

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Chemical structure information

SMILES:
CC(=O)N1CCCCC1

InChI:
InChI=1S/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3

InChIKey:
KDISMIMTGUMORD-UHFFFAOYSA-N

DeepSMILES:
CC=O)NCCCCC6

Functional groups:
CC(=O)N(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Piperidines

ClassyFire Subclass: N-acylpiperidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: -1.074

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Chemical structure download