2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile

C13H23N3 — CID 43585250

IUPAC2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
SMILESCC(C)N1CCN(C2CCCC2C#N)CC1
InChIInChI=1S/C13H23N3/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(13)10-14/h11-13H,3-9H2,1-2H3
InChIKeyUEVUYTCGZKPWEF-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.70
Rot. Bonds2

About 2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile

2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 43585250) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
PubChem CID43585250
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
SMILESCC(C)N1CCN(C2CCCC2C#N)CC1
InChIInChI=1S/C13H23N3/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(13)10-14/h11-13H,3-9H2,1-2H3
InChIKeyUEVUYTCGZKPWEF-UHFFFAOYSA-N
XLogP1.70
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile (CID 43585250) is 2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile is CC(C)N1CCN(C2CCCC2C#N)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is UEVUYTCGZKPWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(13)10-14/h11-13H,3-9H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile?
2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 221.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 43585250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).