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A1BRI

Summary
Name:(3S)-N~1~-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1,3-dicarboxamide
Formula:C15 H18 F3 N3 O3
Formal charge:0
Formula weight:345.317 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-N~1~-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1,3-dicarboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-~{N}1-[2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]piperidine-1,3-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1ccccc1OCC(F)(F)F)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H18F3N3O3/c16-15(17,18)9-24-12-6-2-1-5-11(12)20-14(23)21-7-3-4-10(8-21)13(19)22/h1-2,5-6,10H,3-4,7-9H2,(H2,19,22)(H,20,23)/t10-/m0/s1
InChIKeyInChI1.06XHGBHCKDUHPBTE-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Nc2ccccc2OCC(F)(F)F
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Nc2ccccc2OCC(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N)OCC(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)NC(=O)N2CCCC(C2)C(=O)N)OCC(F)(F)F

248636

PDB entries from 2026-02-04

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