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A1B4E

Summary
Name:(3S)-6-oxo-1-{[(2P)-2-(pyridin-3-yl)phenyl]methyl}piperidine-3-carboxamide
Formula:C18 H19 N3 O2
Formal charge:0
Formula weight:309.362 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-6-oxo-1-{[(2P)-2-(pyridin-3-yl)phenyl]methyl}piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-6-oxidanylidene-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCC(=O)N(Cc2ccccc2c2cccnc2)C1
InChIInChI1.06InChI=1S/C18H19N3O2/c19-18(23)15-7-8-17(22)21(12-15)11-14-4-1-2-6-16(14)13-5-3-9-20-10-13/h1-6,9-10,15H,7-8,11-12H2,(H2,19,23)/t15-/m0/s1
InChIKeyInChI1.06BENGMPPJNGGMDU-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCC(=O)N(C1)Cc2ccccc2c3cccnc3
SMILESCACTVS3.385NC(=O)[CH]1CCC(=O)N(C1)Cc2ccccc2c3cccnc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)CN2C[C@H](CCC2=O)C(=O)N)c3cccnc3
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)CN2CC(CCC2=O)C(=O)N)c3cccnc3

248636

PDB entries from 2026-02-04

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