3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide

C11H19N3O2 — CID 108941174

IUPAC3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H19N3O2/c1-3-4-12-10(15)9-11(16)14-7-5-13(2)6-8-14/h3H,1,4-9H2,2H3,(H,12,15)
InChIKeyLVBLJEBKLITNEF-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.55
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide

3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide (PubChem CID 108941174) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide
PubChem CID108941174
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H19N3O2/c1-3-4-12-10(15)9-11(16)14-7-5-13(2)6-8-14/h3H,1,4-9H2,2H3,(H,12,15)
InChIKeyLVBLJEBKLITNEF-UHFFFAOYSA-N
XLogP-0.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide 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 3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide (CID 108941174) is 3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide is C=CCNC(=O)CC(=O)N1CCN(C)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide?
The InChIKey is LVBLJEBKLITNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-4-12-10(15)9-11(16)14-7-5-13(2)6-8-14/h3H,1,4-9H2,2H3,(H,12,15).
What are the key properties of 3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide?
3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide has a molecular weight of 225.29 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide is sourced from PubChem (CID 108941174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).