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

Y2M

Summary
Name:N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
Formula:C15 H21 N3 O3
Formal charge:0
Formula weight:291.346 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
OpenEye OEToolkits2.0.7~{N}-(cyclopropylmethyl)-4-(5-methylfuran-2-yl)carbonyl-piperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N3(C(=O)NCC1CC1)CCN(C(c2ccc(C)o2)=O)CC3
InChIInChI1.03InChI=1S/C15H21N3O3/c1-11-2-5-13(21-11)14(19)17-6-8-18(9-7-17)15(20)16-10-12-3-4-12/h2,5,12H,3-4,6-10H2,1H3,(H,16,20)
InChIKeyInChI1.03ZXYKAGVWWGHBFN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3
SMILESCACTVS3.385Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3
SMILESOpenEye OEToolkits2.0.7Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3

220472

PDB entries from 2024-05-29

PDB statisticsPDBj update infoContact PDBjnumon