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A1BOL

Summary
Name:(3S)-1-{(2R)-2-[(4-fluorophenyl)methyl]oxane-2-carbonyl}piperidine-3-carboxamide
Formula:C19 H25 F N2 O3
Formal charge:0
Formula weight:348.412 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-{(2R)-2-[(4-fluorophenyl)methyl]oxane-2-carbonyl}piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[(2~{R})-2-[(4-fluorophenyl)methyl]oxan-2-yl]carbonylpiperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(N1CCCC(C1)C(N)=O)C1(Cc2ccc(F)cc2)CCCCO1
InChIInChI1.06InChI=1S/C19H25FN2O3/c20-16-7-5-14(6-8-16)12-19(9-1-2-11-25-19)18(24)22-10-3-4-15(13-22)17(21)23/h5-8,15H,1-4,9-13H2,(H2,21,23)/t15-,19+/m0/s1
InChIKeyInChI1.06FMJRSBGLYJMTSG-HNAYVOBHSA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)[C@@]2(CCCCO2)Cc3ccc(F)cc3
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)[C]2(CCCCO2)Cc3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(ccc1C[C@]2(CCCCO2)C(=O)N3CCC[C@@H](C3)C(=O)N)F
SMILESOpenEye OEToolkits3.1.0.0c1cc(ccc1CC2(CCCCO2)C(=O)N3CCCC(C3)C(=O)N)F

248636

PDB entries from 2026-02-04

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