1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide

C26H29N3O3 — CID 58970097

About 1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 58970097) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

• Compound Name: 1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
• PubChem CID: 58970097
• Molecular Formula: C26H29N3O3
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.22
• IUPAC Name: 1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
• SMILES: COc1ccc2c(c1CCN1CCC(n3ccc4ccc(C(N)=O)cc43)CC1)CC(=O)C2
• InChI: InChI=1S/C26H29N3O3/c1-32-25-5-4-18-14-21(30)16-23(18)22(25)9-12-28-10-7-20(8-11-28)29-13-6-17-2-3-19(26(27)31)15-24(17)29/h2-6,13,15,20H,7-12,14,16H2,1H3,(H2,27,31)
• InChIKey: NZGBVBRCRUNDCK-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 77.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?

The IUPAC name of 1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 58970097) is 1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide.

What is the SMILES notation for 1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?

The canonical SMILES for 1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc2c(c1CCN1CCC(n3ccc4ccc(C(N)=O)cc43)CC1)CC(=O)C2.

What is the InChIKey of 1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?

The InChIKey is NZGBVBRCRUNDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-32-25-5-4-18-14-21(30)16-23(18)22(25)9-12-28-10-7-20(8-11-28)29-13-6-17-2-3-19(26(27)31)15-24(17)29/h2-6,13,15,20H,7-12,14,16H2,1H3,(H2,27,31).

What are the key properties of 1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide?

1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 58970097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).