N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide

C26H30N2O4 — CID 26399957

About N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide

N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide (PubChem CID 26399957) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide
• PubChem CID: 26399957
• Molecular Formula: C26H30N2O4
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.22
• IUPAC Name: N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide
• SMILES: COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)c(C)c1
• InChI: InChI=1S/C26H30N2O4/c1-17-13-22(31-3)8-9-23(17)27-25(29)11-6-19-5-4-12-28(16-19)26(30)20-7-10-24-21(15-20)14-18(2)32-24/h7-10,13-15,19H,4-6,11-12,16H2,1-3H3,(H,27,29)/t19-/m0/s1
• InChIKey: LIDZDESWRSUGOB-IBGZPJMESA-N
• XLogP: 5.33
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide?

The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide (CID 26399957) is N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide.

What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide?

The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide is COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)c(C)c1.

What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide?

The InChIKey is LIDZDESWRSUGOB-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30N2O4/c1-17-13-22(31-3)8-9-23(17)27-25(29)11-6-19-5-4-12-28(16-19)26(30)20-7-10-24-21(15-20)14-18(2)32-24/h7-10,13-15,19H,4-6,11-12,16H2,1-3H3,(H,27,29)/t19-/m0/s1.

What are the key properties of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide?

N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 434.54 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 26399957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).