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

C20H26N2O2 — CID 119518463

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

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone (PubChem CID 119518463) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
• PubChem CID: 119518463
• Molecular Formula: C20H26N2O2
• Molecular Weight: 326.44 g/mol
• Exact Mass: 326.20
• IUPAC Name: 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
• SMILES: CC(N)C1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1
• InChI: InChI=1S/C20H26N2O2/c1-13(21)14-5-7-22(8-6-14)20(23)11-17-12-24-19-10-16-4-2-3-15(16)9-18(17)19/h9-10,12-14H,2-8,11,21H2,1H3
• InChIKey: POGGWKZARDGEMI-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 59.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.44
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone (CID 119518463) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone.

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

The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone is CC(N)C1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1.

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

The InChIKey is POGGWKZARDGEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(21)14-5-7-22(8-6-14)20(23)11-17-12-24-19-10-16-4-2-3-15(16)9-18(17)19/h9-10,12-14H,2-8,11,21H2,1H3.

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

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone has a molecular weight of 326.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone is sourced from PubChem (CID 119518463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).