2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone

C14H26N2O — CID 126759842

IUPAC2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone
SMILESCCCC(C)N1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C14H26N2O/c1-3-4-12(2)15-7-9-16(10-8-15)14(17)11-13-5-6-13/h12-13H,3-11H2,1-2H3
InChIKeyDLFQVXPOQRTKLR-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.12
Rot. Bonds5

About 2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone

2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone (PubChem CID 126759842) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone
PubChem CID126759842
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone
SMILESCCCC(C)N1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C14H26N2O/c1-3-4-12(2)15-7-9-16(10-8-15)14(17)11-13-5-6-13/h12-13H,3-11H2,1-2H3
InChIKeyDLFQVXPOQRTKLR-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone 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-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone (CID 126759842) is 2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone is CCCC(C)N1CCN(C(=O)CC2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is DLFQVXPOQRTKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-4-12(2)15-7-9-16(10-8-15)14(17)11-13-5-6-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone?
2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 238.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 126759842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).