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A1CS8

Summary
Name:(3S)-4-[(2R)-2-hydroxybutanoyl]-3-[4-(trifluoromethyl)phenyl]piperazin-2-one
Formula:C15 H17 F3 N2 O3
Formal charge:0
Formula weight:330.302 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-4-[(2R)-2-hydroxybutanoyl]-3-[4-(trifluoromethyl)phenyl]piperazin-2-one
OpenEye OEToolkits3.1.0.0(3~{S})-4-[(2~{R})-2-oxidanylbutanoyl]-3-[4-(trifluoromethyl)phenyl]piperazin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C1NCCN(C(=O)C(O)CC)C1c1ccc(cc1)C(F)(F)F
InChIInChI1.06InChI=1S/C15H17F3N2O3/c1-2-11(21)14(23)20-8-7-19-13(22)12(20)9-3-5-10(6-4-9)15(16,17)18/h3-6,11-12,21H,2,7-8H2,1H3,(H,19,22)/t11-,12+/m1/s1
InChIKeyInChI1.06LHXXALHVNJOSSE-NEPJUHHUSA-N
SMILES_CANONICALCACTVS3.385CC[C@@H](O)C(=O)N1CCNC(=O)[C@@H]1c2ccc(cc2)C(F)(F)F
SMILESCACTVS3.385CC[CH](O)C(=O)N1CCNC(=O)[CH]1c2ccc(cc2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC[C@H](C(=O)N1CCNC(=O)[C@@H]1c2ccc(cc2)C(F)(F)F)O
SMILESOpenEye OEToolkits3.1.0.0CCC(C(=O)N1CCNC(=O)C1c2ccc(cc2)C(F)(F)F)O

253795

PDB entries from 2026-05-20

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