[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

C22H27NO4 — CID 55327208

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (PubChem CID 55327208) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.

Molecular Properties

• Compound Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
• PubChem CID: 55327208
• Molecular Formula: C22H27NO4
• Molecular Weight: 369.46 g/mol
• Exact Mass: 369.19
• IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
• SMILES: CC1CCCC(C)N1C(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3
• InChI: InChI=1S/C22H27NO4/c1-14-5-3-6-15(2)23(14)21(24)13-27-22(25)11-18-12-26-20-10-17-8-4-7-16(17)9-19(18)20/h9-10,12,14-15H,3-8,11,13H2,1-2H3
• InChIKey: HJYJIEDZBQMWGI-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.46
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (CID 55327208) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.

What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is CC1CCCC(C)N1C(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3.

What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

The InChIKey is HJYJIEDZBQMWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-14-5-3-6-15(2)23(14)21(24)13-27-22(25)11-18-12-26-20-10-17-8-4-7-16(17)9-19(18)20/h9-10,12,14-15H,3-8,11,13H2,1-2H3.

What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate has a molecular weight of 369.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is sourced from PubChem (CID 55327208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).