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A1BTH

Summary
Name:(3S)-N~1~-(2-fluorophenyl)piperidine-1,3-dicarboxamide
Formula:C13 H16 F N3 O2
Formal charge:0
Formula weight:265.283 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-N~1~-(2-fluorophenyl)piperidine-1,3-dicarboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-~{N}1-(2-fluorophenyl)piperidine-1,3-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1ccccc1F)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C13H16FN3O2/c14-10-5-1-2-6-11(10)16-13(19)17-7-3-4-9(8-17)12(15)18/h1-2,5-6,9H,3-4,7-8H2,(H2,15,18)(H,16,19)/t9-/m0/s1
InChIKeyInChI1.06SIJSHILCUHKBHW-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Nc2ccccc2F
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Nc2ccccc2F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N)F
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)NC(=O)N2CCCC(C2)C(=O)N)F

246905

PDB entries from 2025-12-31

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