N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide

C26H31N3O5 — CID 50816995

About N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide

N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 50816995) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
• PubChem CID: 50816995
• Molecular Formula: C26H31N3O5
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.23
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
• SMILES: COc1ccc(CNC(=O)CC2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)c(OC)c1
• InChI: InChI=1S/C26H31N3O5/c1-32-20-6-4-18-13-23(28-22(18)14-20)26(31)29-10-8-17(9-11-29)12-25(30)27-16-19-5-7-21(33-2)15-24(19)34-3/h4-7,13-15,17,28H,8-12,16H2,1-3H3,(H,27,30)
• InChIKey: OMPAFUMZVRHBEP-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 92.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide (CID 50816995) is N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide is COc1ccc(CNC(=O)CC2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)c(OC)c1.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide?

The InChIKey is OMPAFUMZVRHBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-32-20-6-4-18-13-23(28-22(18)14-20)26(31)29-10-8-17(9-11-29)12-25(30)27-16-19-5-7-21(33-2)15-24(19)34-3/h4-7,13-15,17,28H,8-12,16H2,1-3H3,(H,27,30).

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide?

N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 465.55 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 50816995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).