3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide

C26H34N4O4S2 — CID 59003332

About 3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide

3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide (PubChem CID 59003332) has the molecular formula C26H34N4O4S2 and a molecular weight of 530.72 g/mol. Its IUPAC name is 3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide.

Molecular Properties

• Compound Name: 3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide
• PubChem CID: 59003332
• Molecular Formula: C26H34N4O4S2
• Molecular Weight: 530.72 g/mol
• Exact Mass: 530.20
• IUPAC Name: 3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide
• SMILES: NC(=O)c1cc(-c2ccsc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCC(O)CC4)CC3)c[nH]c12
• InChI: InChI=1S/C26H34N4O4S2/c27-26(32)23-15-20(19-6-12-35-17-19)14-22-24(16-28-25(22)23)18-2-10-30(11-3-18)36(33,34)13-1-7-29-8-4-21(31)5-9-29/h6,12,14-18,21,28,31H,1-5,7-11,13H2,(H2,27,32)
• InChIKey: GMENFQVHRUARMS-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 119.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.72
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide?

The IUPAC name of 3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide (CID 59003332) is 3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide.

What is the SMILES notation for 3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide?

The canonical SMILES for 3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccsc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCC(O)CC4)CC3)c[nH]c12.

What is the InChIKey of 3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide?

The InChIKey is GMENFQVHRUARMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4S2/c27-26(32)23-15-20(19-6-12-35-17-19)14-22-24(16-28-25(22)23)18-2-10-30(11-3-18)36(33,34)13-1-7-29-8-4-21(31)5-9-29/h6,12,14-18,21,28,31H,1-5,7-11,13H2,(H2,27,32).

What are the key properties of 3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide?

3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide has a molecular weight of 530.72 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 59003332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).