Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

UB5

Summary
Name:4-methyl-~{N}-pentyl-piperidine-1-carboxamide
Formula:C12 H24 N2 O
Formal charge:0
Formula weight:212.332 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-methyl-~{N}-pentyl-piperidine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H24N2O/c1-3-4-5-8-13-12(15)14-9-6-11(2)7-10-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyInChI1.03ZVWQTTCMILVTNG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCNC(=O)N1CCC(C)CC1
SMILESCACTVS3.385CCCCCNC(=O)N1CCC(C)CC1
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCNC(=O)N1CCC(CC1)C
SMILESOpenEye OEToolkits2.0.7CCCCCNC(=O)N1CCC(CC1)C

227344

数据于2024-11-13公开中

PDB statisticsPDBj update infoContact PDBjnumon