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A1BNZ

Summary
Name:(3S)-1-[(2S)-3-(4-fluorophenyl)-2-phenylpropanoyl]piperidine-3-carboxamide
Formula:C21 H23 F N2 O2
Formal charge:0
Formula weight:354.418 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2S)-3-(4-fluorophenyl)-2-phenylpropanoyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[(2~{S})-3-(4-fluorophenyl)-2-phenyl-propanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(C(Cc1ccc(F)cc1)c1ccccc1)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C21H23FN2O2/c22-18-10-8-15(9-11-18)13-19(16-5-2-1-3-6-16)21(26)24-12-4-7-17(14-24)20(23)25/h1-3,5-6,8-11,17,19H,4,7,12-14H2,(H2,23,25)/t17-,19-/m0/s1
InChIKeyInChI1.06BJVLTIUJQBTOEQ-HKUYNNGSSA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](Cc2ccc(F)cc2)c3ccccc3
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)[CH](Cc2ccc(F)cc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(cc1)[C@H](Cc2ccc(cc2)F)C(=O)N3CCC[C@@H](C3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1ccc(cc1)C(Cc2ccc(cc2)F)C(=O)N3CCCC(C3)C(=O)N

248636

PDB entries from 2026-02-04

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