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A1B4G

Summary
Name:(3S)-1-[(5-fluoro-2-methyl-1H-1,3-benzimidazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
Formula:C15 H17 F N4 O2
Formal charge:0
Formula weight:304.319 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(5-fluoro-2-methyl-1H-1,3-benzimidazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[(5-fluoranyl-2-methyl-1~{H}-benzimidazol-4-yl)methyl]-6-oxidanylidene-piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCC(=O)N(Cc2c3nc(C)[NH]c3ccc2F)C1
InChIInChI1.06InChI=1S/C15H17FN4O2/c1-8-18-12-4-3-11(16)10(14(12)19-8)7-20-6-9(15(17)22)2-5-13(20)21/h3-4,9H,2,5-7H2,1H3,(H2,17,22)(H,18,19)/t9-/m0/s1
InChIKeyInChI1.06CDTVOSIPPPNCHX-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385Cc1[nH]c2ccc(F)c(CN3C[C@H](CCC3=O)C(N)=O)c2n1
SMILESCACTVS3.385Cc1[nH]c2ccc(F)c(CN3C[CH](CCC3=O)C(N)=O)c2n1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1[nH]c2ccc(c(c2n1)CN3C[C@H](CCC3=O)C(=O)N)F
SMILESOpenEye OEToolkits3.1.0.0Cc1[nH]c2ccc(c(c2n1)CN3CC(CCC3=O)C(=O)N)F

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PDB entries from 2026-02-04

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