1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide

C24H30N2O3 — CID 60579414

About 1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide

1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide (PubChem CID 60579414) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide
• PubChem CID: 60579414
• Molecular Formula: C24H30N2O3
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.23
• IUPAC Name: 1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide
• SMILES: CCOc1cc2c(cc1NC(=O)C1CCCN(Cc3ccccc3)C1)OC(C)C2
• InChI: InChI=1S/C24H30N2O3/c1-3-28-23-13-20-12-17(2)29-22(20)14-21(23)25-24(27)19-10-7-11-26(16-19)15-18-8-5-4-6-9-18/h4-6,8-9,13-14,17,19H,3,7,10-12,15-16H2,1-2H3,(H,25,27)
• InChIKey: NLSBBGVXYXALCN-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide?

The IUPAC name of 1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide (CID 60579414) is 1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide is CCOc1cc2c(cc1NC(=O)C1CCCN(Cc3ccccc3)C1)OC(C)C2.

What is the InChIKey of 1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide?

The InChIKey is NLSBBGVXYXALCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-28-23-13-20-12-17(2)29-22(20)14-21(23)25-24(27)19-10-7-11-26(16-19)15-18-8-5-4-6-9-18/h4-6,8-9,13-14,17,19H,3,7,10-12,15-16H2,1-2H3,(H,25,27).

What are the key properties of 1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide?

1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 60579414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).