[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

C26H31N3O2S — CID 87042789

About [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 87042789) has the molecular formula C26H31N3O2S and a molecular weight of 449.62 g/mol. Its IUPAC name is [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
• PubChem CID: 87042789
• Molecular Formula: C26H31N3O2S
• Molecular Weight: 449.62 g/mol
• Exact Mass: 449.21
• IUPAC Name: [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
• SMILES: CCc1cccc2c(C3CCN(C(=O)C4CCCN(C(=O)c5cccs5)C4)CC3)c[nH]c12
• InChI: InChI=1S/C26H31N3O2S/c1-2-18-6-3-8-21-22(16-27-24(18)21)19-10-13-28(14-11-19)25(30)20-7-4-12-29(17-20)26(31)23-9-5-15-32-23/h3,5-6,8-9,15-16,19-20,27H,2,4,7,10-14,17H2,1H3
• InChIKey: VTKUBKWUQXBGRF-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 56.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.62
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?

The IUPAC name of [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (CID 87042789) is [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.

What is the SMILES notation for [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?

The canonical SMILES for [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is CCc1cccc2c(C3CCN(C(=O)C4CCCN(C(=O)c5cccs5)C4)CC3)c[nH]c12.

What is the InChIKey of [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?

The InChIKey is VTKUBKWUQXBGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S/c1-2-18-6-3-8-21-22(16-27-24(18)21)19-10-13-28(14-11-19)25(30)20-7-4-12-29(17-20)26(31)23-9-5-15-32-23/h3,5-6,8-9,15-16,19-20,27H,2,4,7,10-14,17H2,1H3.

What are the key properties of [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?

[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 449.62 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 87042789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).