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A1BO9

Summary
Name:(3S)-1-[2-(2-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
Formula:C15 H20 N2 O3
Formal charge:0
Formula weight:276.331 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[2-(2-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(2-methoxyphenyl)ethyl]-6-oxidanylidene-piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCC(=O)N(CCc2ccccc2OC)C1
InChIInChI1.06InChI=1S/C15H20N2O3/c1-20-13-5-3-2-4-11(13)8-9-17-10-12(15(16)19)6-7-14(17)18/h2-5,12H,6-10H2,1H3,(H2,16,19)/t12-/m0/s1
InChIKeyInChI1.06LXGPKCNTFLTCMR-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1CCN2C[C@H](CCC2=O)C(N)=O
SMILESCACTVS3.385COc1ccccc1CCN2C[CH](CCC2=O)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1ccccc1CCN2C[C@H](CCC2=O)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0COc1ccccc1CCN2CC(CCC2=O)C(=O)N

248942

PDB entries from 2026-02-11

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