2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile

C17H22ClN3 — CID 79537026

IUPAC2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
SMILESN#Cc1cc(NC2CCCC2C2CCCCN2)ccc1Cl
InChIInChI=1S/C17H22ClN3/c18-15-8-7-13(10-12(15)11-19)21-17-6-3-4-14(17)16-5-1-2-9-20-16/h7-8,10,14,16-17,20-21H,1-6,9H2
InChIKeyINGWYYDMSYASPS-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.93
Rot. Bonds3

About 2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile

2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile (PubChem CID 79537026) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile.

Molecular Properties

Compound Name2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
PubChem CID79537026
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
SMILESN#Cc1cc(NC2CCCC2C2CCCCN2)ccc1Cl
InChIInChI=1S/C17H22ClN3/c18-15-8-7-13(10-12(15)11-19)21-17-6-3-4-14(17)16-5-1-2-9-20-16/h7-8,10,14,16-17,20-21H,1-6,9H2
InChIKeyINGWYYDMSYASPS-UHFFFAOYSA-N
XLogP3.93
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
CID 79545201
4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264
2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 83078172
4-[(2-piperidin-2-ylcyclopentyl)amino]phenol
CID 79545447
3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545806
2-chloro-1-N,1-N-dimethyl-4-N-(2-pyrrolidin-2-ylcyclopentyl)benzene-1,4-diamine
CID 79536895
4-[(2-piperidin-2-ylcyclohexyl)amino]phenol
CID 79553578
N-(2-pyrrolidin-2-ylcyclopentyl)-1,3-benzodioxol-5-amine
CID 79536079
5-bromo-2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzonitrile
CID 82692143
N-(2-pyrrolidin-2-ylcyclohexyl)-1H-indol-5-amine
CID 79539275
N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
CID 79537602
3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537664

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile?
The IUPAC name of 2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile (CID 79537026) is 2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile.
What is the SMILES notation for 2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile?
The canonical SMILES for 2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile is N#Cc1cc(NC2CCCC2C2CCCCN2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile?
The InChIKey is INGWYYDMSYASPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c18-15-8-7-13(10-12(15)11-19)21-17-6-3-4-14(17)16-5-1-2-9-20-16/h7-8,10,14,16-17,20-21H,1-6,9H2.
What are the key properties of 2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile?
2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile has a molecular weight of 303.84 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile is sourced from PubChem (CID 79537026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).