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A1B4F

Summary
Name:(3S)-1-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
Formula:C14 H18 N2 O2
Formal charge:0
Formula weight:246.305 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[(3-methylphenyl)methyl]-6-oxidanylidene-piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCC(=O)N(Cc2cc(C)ccc2)C1
InChIInChI1.06InChI=1S/C14H18N2O2/c1-10-3-2-4-11(7-10)8-16-9-12(14(15)18)5-6-13(16)17/h2-4,7,12H,5-6,8-9H2,1H3,(H2,15,18)/t12-/m0/s1
InChIKeyInChI1.06UGHGVHZNFADSPL-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(CN2C[C@H](CCC2=O)C(N)=O)c1
SMILESCACTVS3.385Cc1cccc(CN2C[CH](CCC2=O)C(N)=O)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cccc(c1)CN2C[C@H](CCC2=O)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0Cc1cccc(c1)CN2CC(CCC2=O)C(=O)N

248636

PDB entries from 2026-02-04

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