T0J

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Summary

Name:N~1~-phenylpiperidine-1,4-dicarboxamide
Formula:C13 H17 N3 O2
Formal charge:0
Molecular weight:247.293 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~1~-phenylpiperidine-1,4-dicarboxamide
OpenEye OEToolkits2.0.7~{N}1-phenylpiperidine-1,4-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(N1CCC(C(N)=O)CC1)(Nc2ccccc2)=O
InChIInChI1.03InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18)
InChIKeyInChI1.03OSBGPHZLIBZPGJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)C1CCN(CC1)C(=O)Nc2ccccc2
SMILESCACTVS3.385NC(=O)C1CCN(CC1)C(=O)Nc2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N
170172
PDB entries from 2020-10-21