Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

ZKQ

Summary
Name:N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:C16 H16 F N3 O3
Formal charge:0
Formula weight:317.315 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
OpenEye OEToolkits2.0.7~{N}-(2-fluorophenyl)-4-(furan-2-ylcarbonyl)piperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1CCN(CC1)C(=O)Nc1ccccc1F)c1ccco1
InChIInChI1.06InChI=1S/C16H16FN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,22)
InChIKeyInChI1.06DRSQTYLODSUBKE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3
SMILESCACTVS3.385Fc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)F
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)F

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon