2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide

C19H21N3O4 — CID 55461412

IUPAC2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C19H21N3O4/c1-2-7-20-18(24)13-21-8-10-22(11-9-21)19(25)17-12-15(23)14-5-3-4-6-16(14)26-17/h2-6,12H,1,7-11,13H2,(H,20,24)
InChIKeyFWJIJAHRWUMYHP-UHFFFAOYSA-N
MW355.39 g/mol
LogP0.85
Rot. Bonds5

About 2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 55461412) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID55461412
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C19H21N3O4/c1-2-7-20-18(24)13-21-8-10-22(11-9-21)19(25)17-12-15(23)14-5-3-4-6-16(14)26-17/h2-6,12H,1,7-11,13H2,(H,20,24)
InChIKeyFWJIJAHRWUMYHP-UHFFFAOYSA-N
XLogP0.85
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide 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-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 55461412) is 2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1.
What is the InChIKey of 2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is FWJIJAHRWUMYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-2-7-20-18(24)13-21-8-10-22(11-9-21)19(25)17-12-15(23)14-5-3-4-6-16(14)26-17/h2-6,12H,1,7-11,13H2,(H,20,24).
What are the key properties of 2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 355.39 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 55461412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).