1-piperazin-1-ylcyclopentane-1-carbonitrile

C10H17N3 — CID 9397977

IUPAC1-piperazin-1-ylcyclopentane-1-carbonitrile
SMILESN#CC1(N2CCNCC2)CCCC1
InChIInChI=1S/C10H17N3/c11-9-10(3-1-2-4-10)13-7-5-12-6-8-13/h12H,1-8H2
InChIKeyOMZRBDHPZQUXQS-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.73
Rot. Bonds1

About 1-piperazin-1-ylcyclopentane-1-carbonitrile

1-piperazin-1-ylcyclopentane-1-carbonitrile (PubChem CID 9397977) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-piperazin-1-ylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-piperazin-1-ylcyclopentane-1-carbonitrile
PubChem CID9397977
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-piperazin-1-ylcyclopentane-1-carbonitrile
SMILESN#CC1(N2CCNCC2)CCCC1
InChIInChI=1S/C10H17N3/c11-9-10(3-1-2-4-10)13-7-5-12-6-8-13/h12H,1-8H2
InChIKeyOMZRBDHPZQUXQS-UHFFFAOYSA-N
XLogP0.73
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperazin-1-ylcyclopentane-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

Related Compounds

6-Methyl-6,9-diazaspiro[4.5]decane
CID 28901865
9-Methyl-6,9-diazaspiro[4.5]decane
CID 52416411
6,9-Diazaspiro[4.5]decane
CID 18975279
(1-Piperidin-1-Ylcyclopentyl)Methylamine
CID 24708164
6,9-Diazaspiro[4.5]decane dihydrochloride
CID 44890868
1-Piperazin-1-ylcyclohexanecarbonitrile
CID 7131809
Piperazine-2,5,5-tetracarbonitrile, 3,6-dipropyl-
CID 398330
5-[Ethyl-[(3-fluorocyclopentyl)methyl]amino]piperidine-3-carbonitrile
CID 169933731
1-(Cyclopentylmethyl)piperazine
CID 935661
1-Piperidin-1-ylcyclopentanecarbonitrile
CID 21678970
6-(2-Fluoroethyl)-6,9-diazaspiro[4.5]decane
CID 80694347
9-(2-Fluoroethyl)-6,9-diazaspiro[4.5]decane
CID 80695490

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylcyclopentane-1-carbonitrile?
The IUPAC name of 1-piperazin-1-ylcyclopentane-1-carbonitrile (CID 9397977) is 1-piperazin-1-ylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-piperazin-1-ylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-piperazin-1-ylcyclopentane-1-carbonitrile is N#CC1(N2CCNCC2)CCCC1.
What is the InChIKey of 1-piperazin-1-ylcyclopentane-1-carbonitrile?
The InChIKey is OMZRBDHPZQUXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-9-10(3-1-2-4-10)13-7-5-12-6-8-13/h12H,1-8H2.
What are the key properties of 1-piperazin-1-ylcyclopentane-1-carbonitrile?
1-piperazin-1-ylcyclopentane-1-carbonitrile has a molecular weight of 179.27 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylcyclopentane-1-carbonitrile is sourced from PubChem (CID 9397977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).