N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide

C33H41N3O5 — CID 143739233

About N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide

N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide (PubChem CID 143739233) has the molecular formula C33H41N3O5 and a molecular weight of 559.71 g/mol. Its IUPAC name is N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide
• PubChem CID: 143739233
• Molecular Formula: C33H41N3O5
• Molecular Weight: 559.71 g/mol
• Exact Mass: 559.30
• IUPAC Name: N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide
• SMILES: COc1cccc2occ(COc3cccc4[nH]c(C(=O)NC5CCC(O)(CCN6CCC[C@@H](C)C6)CC5)cc34)c12
• InChI: InChI=1S/C33H41N3O5/c1-22-6-5-16-36(19-22)17-15-33(38)13-11-24(12-14-33)34-32(37)27-18-25-26(35-27)7-3-8-28(25)40-20-23-21-41-30-10-4-9-29(39-2)31(23)30/h3-4,7-10,18,21-22,24,35,38H,5-6,11-17,19-20H2,1-2H3,(H,34,37)/t22-,24?,33?/m1/s1
• InChIKey: OMBSPHPELJZUCE-OEORZQDRSA-N
• XLogP: 6.03
• TPSA: 99.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.71
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide?

The IUPAC name of N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide (CID 143739233) is N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide?

The canonical SMILES for N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide is COc1cccc2occ(COc3cccc4[nH]c(C(=O)NC5CCC(O)(CCN6CCC[C@@H](C)C6)CC5)cc34)c12.

What is the InChIKey of N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide?

The InChIKey is OMBSPHPELJZUCE-OEORZQDRSA-N. The full InChI is InChI=1S/C33H41N3O5/c1-22-6-5-16-36(19-22)17-15-33(38)13-11-24(12-14-33)34-32(37)27-18-25-26(35-27)7-3-8-28(25)40-20-23-21-41-30-10-4-9-29(39-2)31(23)30/h3-4,7-10,18,21-22,24,35,38H,5-6,11-17,19-20H2,1-2H3,(H,34,37)/t22-,24?,33?/m1/s1.

What are the key properties of N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide?

N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide has a molecular weight of 559.71 g/mol, XLogP of 6.03, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide is sourced from PubChem (CID 143739233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).