2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone

C20H26N2O3 — CID 86913340

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone (PubChem CID 86913340) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
• PubChem CID: 86913340
• Molecular Formula: C20H26N2O3
• Molecular Weight: 342.44 g/mol
• Exact Mass: 342.19
• IUPAC Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
• SMILES: COCCN1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1
• InChI: InChI=1S/C20H26N2O3/c1-24-10-9-21-5-7-22(8-6-21)20(23)13-17-14-25-19-12-16-4-2-3-15(16)11-18(17)19/h11-12,14H,2-10,13H2,1H3
• InChIKey: OVZIHIWSYLVRHH-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 45.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.44
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?

The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone (CID 86913340) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone is COCCN1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1.

What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?

The InChIKey is OVZIHIWSYLVRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-10-9-21-5-7-22(8-6-21)20(23)13-17-14-25-19-12-16-4-2-3-15(16)11-18(17)19/h11-12,14H,2-10,13H2,1H3.

What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86913340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).