[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone

C24H28N2O3 — CID 8968412

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone
SMILESCCOc1ccc2oc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)c2c1
InChIInChI=1S/C24H28N2O3/c1-5-28-19-9-10-22-20(15-19)18(4)23(29-22)24(27)26-13-11-25(12-14-26)21-8-6-7-16(2)17(21)3/h6-10,15H,5,11-14H2,1-4H3
InChIKeyVELPFZVZVZRQRX-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.72
Rot. Bonds4

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 8968412) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID8968412
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone
SMILESCCOc1ccc2oc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)c2c1
InChIInChI=1S/C24H28N2O3/c1-5-28-19-9-10-22-20(15-19)18(4)23(29-22)24(27)26-13-11-25(12-14-26)21-8-6-7-16(2)17(21)3/h6-10,15H,5,11-14H2,1-4H3
InChIKeyVELPFZVZVZRQRX-UHFFFAOYSA-N
XLogP4.72
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18104764
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 2425877
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 71904304
[4-(2-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51155040
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 2664104
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 8530102
(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 986583
2-(1,3-benzodioxol-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 17310271
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 9077758
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
CID 19066195
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 16550716

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone (CID 8968412) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone is CCOc1ccc2oc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)c2c1.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is VELPFZVZVZRQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-5-28-19-9-10-22-20(15-19)18(4)23(29-22)24(27)26-13-11-25(12-14-26)21-8-6-7-16(2)17(21)3/h6-10,15H,5,11-14H2,1-4H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 392.50 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 8968412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).