4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one

C23H24N2O4 — CID 10340470

IUPAC4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one
SMILESCCC1CN(C(=O)c2cc3ccccc3o2)CC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C23H24N2O4/c1-3-18-14-24(23(27)21-12-17-6-4-5-7-20(17)29-21)15-22(26)25(18)13-16-8-10-19(28-2)11-9-16/h4-12,18H,3,13-15H2,1-2H3
InChIKeyVROKHQBUELHBBH-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.70
Rot. Bonds5

About 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one

4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one (PubChem CID 10340470) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one
PubChem CID10340470
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one
SMILESCCC1CN(C(=O)c2cc3ccccc3o2)CC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C23H24N2O4/c1-3-18-14-24(23(27)21-12-17-6-4-5-7-20(17)29-21)15-22(26)25(18)13-16-8-10-19(28-2)11-9-16/h4-12,18H,3,13-15H2,1-2H3
InChIKeyVROKHQBUELHBBH-UHFFFAOYSA-N
XLogP3.70
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-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 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one (CID 10340470) is 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one is CCC1CN(C(=O)c2cc3ccccc3o2)CC(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one?
The InChIKey is VROKHQBUELHBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-18-14-24(23(27)21-12-17-6-4-5-7-20(17)29-21)15-22(26)25(18)13-16-8-10-19(28-2)11-9-16/h4-12,18H,3,13-15H2,1-2H3.
What are the key properties of 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one?
4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 10340470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).