Chemical Components in the PDB

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R3P : Summary

Code

R3P

One-letter code

X

Molecule name

2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide
OpenEye OEToolkits 2.0.7 2,6-bis(chloranyl)-~{N}-(1-propan-2-ylpiperidin-4-yl)benzamide

Formula

C15 H20 Cl2 N2 O

Formal charge

0

Molecular weight

315.238 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Clc1c(c(ccc1)Cl)C(NC2CCN(CC2)C(C)C)=O
SMILES CACTVS 3.385 CC(C)N1CCC(CC1)NC(=O)c2c(Cl)cccc2Cl
SMILES OpenEye OEToolkits 2.0.7 CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl
Canonical SMILES CACTVS 3.385 CC(C)N1CCC(CC1)NC(=O)c2c(Cl)cccc2Cl
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl

IUPAC InChI

InChI=1S/C15H20Cl2N2O/c1-10(2)19-8-6-11(7-9-19)18-15(20)14-12(16)4-3-5-13(14)17/h3-5,10-11H,6-9H2,1-2H3,(H,18,20)

IUPAC InChI key

OUZZSIOQTSNTTI-UHFFFAOYSA-N
R3P

wwPDB Information

Atom count

40 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-01-29

Last modified at

2020-06-26

Status

Released

Obsoleted

Not Assigned