4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C30H38N4O4 — CID 67109136

About 4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 67109136) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is 4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
• PubChem CID: 67109136
• Molecular Formula: C30H38N4O4
• Molecular Weight: 518.66 g/mol
• Exact Mass: 518.29
• IUPAC Name: 4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
• SMILES: COc1cccc(Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3c(C(=O)N4CC(OC)C4)cccc32)c1
• InChI: InChI=1S/C30H38N4O4/c1-20(2)32-13-11-22(12-14-32)31-29(35)28-16-26-25(30(36)33-18-24(19-33)38-4)9-6-10-27(26)34(28)17-21-7-5-8-23(15-21)37-3/h5-10,15-16,20,22,24H,11-14,17-19H2,1-4H3,(H,31,35)
• InChIKey: NYILCYNUMUHZRJ-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.66
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?

The IUPAC name of 4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 67109136) is 4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

What is the SMILES notation for 4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?

The canonical SMILES for 4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is COc1cccc(Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3c(C(=O)N4CC(OC)C4)cccc32)c1.

What is the InChIKey of 4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?

The InChIKey is NYILCYNUMUHZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4/c1-20(2)32-13-11-22(12-14-32)31-29(35)28-16-26-25(30(36)33-18-24(19-33)38-4)9-6-10-27(26)34(28)17-21-7-5-8-23(15-21)37-3/h5-10,15-16,20,22,24H,11-14,17-19H2,1-4H3,(H,31,35).

What are the key properties of 4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?

4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 518.66 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 67109136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).