Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

RDV : Summary

Code

RDV

One-letter code

X

Molecule name

3-cyclopentyl-1-(piperazin-1-yl)propan-1-one

Systematic names

ProgramVersionName
ACDLabs 12.01 3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
OpenEye OEToolkits 2.0.6 3-cyclopentyl-1-piperazin-1-yl-propan-1-one

Formula

C12 H22 N2 O

Formal charge

0

Molecular weight

210.316 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C2C(CCC(=O)N1CCNCC1)CCC2
SMILES CACTVS 3.385 O=C(CCC1CCCC1)N2CCNCC2
SMILES OpenEye OEToolkits 2.0.6 C1CCC(C1)CCC(=O)N2CCNCC2
Canonical SMILES CACTVS 3.385 O=C(CCC1CCCC1)N2CCNCC2
Canonical SMILES OpenEye OEToolkits 2.0.6 C1CCC(C1)CCC(=O)N2CCNCC2

IUPAC InChI

InChI=1S/C12H22N2O/c15-12(14-9-7-13-8-10-14)6-5-11-3-1-2-4-11/h11,13H,1-10H2

IUPAC InChI key

PUCYMVZANVWWKV-UHFFFAOYSA-N
RDV

wwPDB Information

Atom count

37 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-02-10

Last modified at

2020-05-29

Status

Released

Obsoleted

Not Assigned