1-(4-propylpiperazin-1-yl)prop-2-en-1-one

C10H18N2O — CID 18793249

IUPAC1-(4-propylpiperazin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCN(CCC)CC1
InChIInChI=1S/C10H18N2O/c1-3-5-11-6-8-12(9-7-11)10(13)4-2/h4H,2-3,5-9H2,1H3
InChIKeyXSTBLQWORDGVAQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.73
Rot. Bonds3

About 1-(4-propylpiperazin-1-yl)prop-2-en-1-one

1-(4-propylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 18793249) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(4-propylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-propylpiperazin-1-yl)prop-2-en-1-one
PubChem CID18793249
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(4-propylpiperazin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCN(CCC)CC1
InChIInChI=1S/C10H18N2O/c1-3-5-11-6-8-12(9-7-11)10(13)4-2/h4H,2-3,5-9H2,1H3
InChIKeyXSTBLQWORDGVAQ-UHFFFAOYSA-N
XLogP0.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(4-propylpiperazin-1-yl)prop-2-en-1-one 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 1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-propylpiperazin-1-yl)prop-2-en-1-one (CID 18793249) is 1-(4-propylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-propylpiperazin-1-yl)prop-2-en-1-one is C=CC(=O)N1CCN(CCC)CC1.
What is the InChIKey of 1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is XSTBLQWORDGVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-5-11-6-8-12(9-7-11)10(13)4-2/h4H,2-3,5-9H2,1H3.
What are the key properties of 1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
1-(4-propylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 18793249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).