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

C22H26N2O4 — CID 78771248

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

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 78771248) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
• PubChem CID: 78771248
• Molecular Formula: C22H26N2O4
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.19
• IUPAC Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
• SMILES: O=C(Cc1coc2cc3c(cc12)CCC3)N1CCN(C(=O)C2CCCO2)CC1
• InChI: InChI=1S/C22H26N2O4/c25-21(23-6-8-24(9-7-23)22(26)19-5-2-10-27-19)13-17-14-28-20-12-16-4-1-3-15(16)11-18(17)20/h11-12,14,19H,1-10,13H2
• InChIKey: MUKDDPASQWVZMQ-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 62.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	2.31
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-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?

The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (CID 78771248) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.

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

The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1coc2cc3c(cc12)CCC3)N1CCN(C(=O)C2CCCO2)CC1.

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

The InChIKey is MUKDDPASQWVZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-21(23-6-8-24(9-7-23)22(26)19-5-2-10-27-19)13-17-14-28-20-12-16-4-1-3-15(16)11-18(17)20/h11-12,14,19H,1-10,13H2.

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

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 382.46 g/mol, XLogP of 2.31, 3 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-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 78771248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).