Chemical Components in the PDB

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ZQ0 : Summary

Code

ZQ0

One-letter code

X

Molecule name

N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
OpenEye OEToolkits 2.0.7 ~{N}-butyl-4-(5-methylfuran-2-yl)carbonyl-piperazine-1-carboxamide

Formula

C15 H23 N3 O3

Formal charge

0

Molecular weight

293.361 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)NCCCC
SMILES CACTVS 3.385 CCCCNC(=O)N1CCN(CC1)C(=O)c2oc(C)cc2
SMILES OpenEye OEToolkits 2.0.7 CCCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)C
Canonical SMILES CACTVS 3.385 CCCCNC(=O)N1CCN(CC1)C(=O)c2oc(C)cc2
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)C

IUPAC InChI

InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-10-8-17(9-11-18)14(19)13-6-5-12(2)21-13/h5-6H,3-4,7-11H2,1-2H3,(H,16,20)

IUPAC InChI key

PXQNPAFJUFSQDI-UHFFFAOYSA-N
ZQ0

wwPDB Information

Atom count

44 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-03-17

Last modified at

2023-03-24

Status

Released

Obsoleted

Not Assigned