3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile

C17H23N3 — CID 79545201

IUPAC3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
SMILESN#Cc1cccc(NC2CCCC2C2CCCCN2)c1
InChIInChI=1S/C17H23N3/c18-12-13-5-3-6-14(11-13)20-17-9-4-7-15(17)16-8-1-2-10-19-16/h3,5-6,11,15-17,19-20H,1-2,4,7-10H2
InChIKeyMTADLEDQTMQIEE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.28
Rot. Bonds3

About 3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile

3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile (PubChem CID 79545201) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
PubChem CID79545201
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
SMILESN#Cc1cccc(NC2CCCC2C2CCCCN2)c1
InChIInChI=1S/C17H23N3/c18-12-13-5-3-6-14(11-13)20-17-9-4-7-15(17)16-8-1-2-10-19-16/h3,5-6,11,15-17,19-20H,1-2,4,7-10H2
InChIKeyMTADLEDQTMQIEE-UHFFFAOYSA-N
XLogP3.28
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(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

2-chloro-5-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
CID 79537026
3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545058
3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine
CID 115376568
3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545806
4-[(2-piperidin-2-ylcyclopentyl)amino]phenol
CID 79545447
3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79536883
2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107597064
3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537664
4-[(2-piperidin-2-ylcyclohexyl)amino]phenol
CID 79553578
N-(2-piperidin-2-ylcyclopentyl)thiophen-3-amine
CID 79545411
N-(2-pyrrolidin-2-ylcyclopentyl)-1,3-benzodioxol-5-amine
CID 79536079
3-(cyclododecylamino)benzonitrile
CID 63422717

Frequently Asked Questions

What is the IUPAC name of 3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile?
The IUPAC name of 3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile (CID 79545201) is 3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile.
What is the SMILES notation for 3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile?
The canonical SMILES for 3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile is N#Cc1cccc(NC2CCCC2C2CCCCN2)c1.
What is the InChIKey of 3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile?
The InChIKey is MTADLEDQTMQIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-12-13-5-3-6-14(11-13)20-17-9-4-7-15(17)16-8-1-2-10-19-16/h3,5-6,11,15-17,19-20H,1-2,4,7-10H2.
What are the key properties of 3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile?
3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile has a molecular weight of 269.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile is sourced from PubChem (CID 79545201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).