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A1BRY

Summary
Name:(3S)-1-[(5-fluoro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
Formula:C15 H19 F N2 O3
Formal charge:0
Formula weight:294.321 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(5-fluoro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(5-fluoranyl-2-methoxy-phenyl)ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1cc(F)ccc1OC)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H19FN2O3/c1-21-13-5-4-12(16)7-11(13)8-14(19)18-6-2-3-10(9-18)15(17)20/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,17,20)/t10-/m0/s1
InChIKeyInChI1.06OAXWWUQUJMBBQP-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385COc1ccc(F)cc1CC(=O)N2CCC[C@@H](C2)C(N)=O
SMILESCACTVS3.385COc1ccc(F)cc1CC(=O)N2CCC[CH](C2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1ccc(cc1CC(=O)N2CCC[C@@H](C2)C(=O)N)F
SMILESOpenEye OEToolkits3.1.0.0COc1ccc(cc1CC(=O)N2CCCC(C2)C(=O)N)F

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PDB entries from 2026-02-04

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