1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide

C28H33N3O4 — CID 11719850

About 1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 11719850) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

• Compound Name: 1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
• PubChem CID: 11719850
• Molecular Formula: C28H33N3O4
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.25
• IUPAC Name: 1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
• SMILES: COc1cc2c(cc1CCN1CCC(n3ccc4ccc(C(N)=O)cc43)CC1)C(=O)CC(C)(C)O2
• InChI: InChI=1S/C28H33N3O4/c1-28(2)17-24(32)22-14-19(25(34-3)16-26(22)35-28)6-10-30-11-8-21(9-12-30)31-13-7-18-4-5-20(27(29)33)15-23(18)31/h4-5,7,13-16,21H,6,8-12,17H2,1-3H3,(H2,29,33)
• InChIKey: UUHSQBIJBHQMFL-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?

The IUPAC name of 1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 11719850) is 1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide.

What is the SMILES notation for 1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?

The canonical SMILES for 1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide is COc1cc2c(cc1CCN1CCC(n3ccc4ccc(C(N)=O)cc43)CC1)C(=O)CC(C)(C)O2.

What is the InChIKey of 1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?

The InChIKey is UUHSQBIJBHQMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-28(2)17-24(32)22-14-19(25(34-3)16-26(22)35-28)6-10-30-11-8-21(9-12-30)31-13-7-18-4-5-20(27(29)33)15-23(18)31/h4-5,7,13-16,21H,6,8-12,17H2,1-3H3,(H2,29,33).

What are the key properties of 1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?

1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 11719850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).