4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile

C16H25N3O2 — CID 62368811

IUPAC4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile
SMILESN#CC1(C(=O)N2CCN(C3CCCC3)CC2)CCOCC1
InChIInChI=1S/C16H25N3O2/c17-13-16(5-11-21-12-6-16)15(20)19-9-7-18(8-10-19)14-3-1-2-4-14/h14H,1-12H2
InChIKeyWKHOOXHFOLAKDI-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.39
Rot. Bonds2

About 4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile

4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile (PubChem CID 62368811) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile
PubChem CID62368811
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile
SMILESN#CC1(C(=O)N2CCN(C3CCCC3)CC2)CCOCC1
InChIInChI=1S/C16H25N3O2/c17-13-16(5-11-21-12-6-16)15(20)19-9-7-18(8-10-19)14-3-1-2-4-14/h14H,1-12H2
InChIKeyWKHOOXHFOLAKDI-UHFFFAOYSA-N
XLogP1.39
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-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 4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile?
The IUPAC name of 4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile (CID 62368811) is 4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile.
What is the SMILES notation for 4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile?
The canonical SMILES for 4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile is N#CC1(C(=O)N2CCN(C3CCCC3)CC2)CCOCC1.
What is the InChIKey of 4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile?
The InChIKey is WKHOOXHFOLAKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-13-16(5-11-21-12-6-16)15(20)19-9-7-18(8-10-19)14-3-1-2-4-14/h14H,1-12H2.
What are the key properties of 4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile?
4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile has a molecular weight of 291.39 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile is sourced from PubChem (CID 62368811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).