Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

L8C : Summary

Code

L8C

One-letter code

X

Molecule name

N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide
OpenEye OEToolkits 2.0.7 4-[(4-methylpiperazin-1-yl)methyl]-~{N}-oxidanyl-benzamide

Formula

C13 H19 N3 O2

Formal charge

0

Molecular weight

249.309 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 ONC(=O)c1ccc(cc1)CN1CCN(C)CC1
SMILES CACTVS 3.385 CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO
SMILES OpenEye OEToolkits 2.0.7 CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO
Canonical SMILES CACTVS 3.385 CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO
Canonical SMILES OpenEye OEToolkits 2.0.7 CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO

IUPAC InChI

InChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)10-11-2-4-12(5-3-11)13(17)14-18/h2-5,18H,6-10H2,1H3,(H,14,17)

IUPAC InChI key

VMDZCGSWWDTUMR-UHFFFAOYSA-N
L8C

wwPDB Information

Atom count

37 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-02-28

Last modified at

2022-04-01

Status

Released

Obsoleted

Not Assigned