3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide

C26H32N2O4 — CID 26403271

About 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide

3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide (PubChem CID 26403271) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
• PubChem CID: 26403271
• Molecular Formula: C26H32N2O4
• Molecular Weight: 436.55 g/mol
• Exact Mass: 436.24
• IUPAC Name: 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
• SMILES: COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cc4ccccc4o3)C2)c(OC)c1
• InChI: InChI=1S/C26H32N2O4/c1-30-22-11-10-21(25(15-22)31-2)16-27-26(29)12-9-19-6-5-13-28(17-19)18-23-14-20-7-3-4-8-24(20)32-23/h3-4,7-8,10-11,14-15,19H,5-6,9,12-13,16-18H2,1-2H3,(H,27,29)/t19-/m1/s1
• InChIKey: ZSPKKZSAECAZDP-LJQANCHMSA-N
• XLogP: 4.76
• TPSA: 63.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.55
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide?

The IUPAC name of 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide (CID 26403271) is 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide.

What is the SMILES notation for 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide?

The canonical SMILES for 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cc4ccccc4o3)C2)c(OC)c1.

What is the InChIKey of 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide?

The InChIKey is ZSPKKZSAECAZDP-LJQANCHMSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-30-22-11-10-21(25(15-22)31-2)16-27-26(29)12-9-19-6-5-13-28(17-19)18-23-14-20-7-3-4-8-24(20)32-23/h3-4,7-8,10-11,14-15,19H,5-6,9,12-13,16-18H2,1-2H3,(H,27,29)/t19-/m1/s1.

What are the key properties of 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide?

3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide has a molecular weight of 436.55 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 26403271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).