Chemical Components in the PDB

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CX5 : Summary

Code

CX5

One-letter code

X

Molecule name

piperidin-1-yl(quinoxalin-6-yl)methanone

Systematic names

ProgramVersionName
ACDLabs 12.01 piperidin-1-yl(quinoxalin-6-yl)methanone
OpenEye OEToolkits 1.7.6 piperidin-1-yl(quinoxalin-6-yl)methanone

Formula

C14 H15 N3 O

Formal charge

0

Molecular weight

241.288 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c2cc1nccnc1cc2)N3CCCCC3
SMILES CACTVS 3.370 O=C(N1CCCCC1)c2ccc3nccnc3c2
SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1C(=O)N3CCCCC3)nccn2
Canonical SMILES CACTVS 3.370 O=C(N1CCCCC1)c2ccc3nccnc3c2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1C(=O)N3CCCCC3)nccn2

IUPAC InChI

InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2

IUPAC InChI key

ANDGGVOPIJEHOF-UHFFFAOYSA-N
CX5

wwPDB Information

Atom count

33 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-02-01

Last modified at

2013-10-04

Status

Released

Obsoleted

Not Assigned