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A1BOZ

Summary
Name:(3S)-1-[(3-methylphenyl)acetyl]piperidine-3-carboxamide
Formula:C15 H20 N2 O2
Formal charge:0
Formula weight:260.331 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(3-methylphenyl)acetyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(3-methylphenyl)ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1cccc(C)c1)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H20N2O2/c1-11-4-2-5-12(8-11)9-14(18)17-7-3-6-13(10-17)15(16)19/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,16,19)/t13-/m0/s1
InChIKeyInChI1.06MJMYLTAWMFARRM-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(CC(=O)N2CCC[C@@H](C2)C(N)=O)c1
SMILESCACTVS3.385Cc1cccc(CC(=O)N2CCC[CH](C2)C(N)=O)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cccc(c1)CC(=O)N2CCC[C@@H](C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0Cc1cccc(c1)CC(=O)N2CCCC(C2)C(=O)N

248636

PDB entries from 2026-02-04

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