[4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate

C33H41N3O7 — CID 67361469

About [4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate

[4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate (PubChem CID 67361469) has the molecular formula C33H41N3O7 and a molecular weight of 591.71 g/mol. Its IUPAC name is [4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: [4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate
• PubChem CID: 67361469
• Molecular Formula: C33H41N3O7
• Molecular Weight: 591.71 g/mol
• Exact Mass: 591.29
• IUPAC Name: [4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate
• SMILES: COc1cccc2occ(COc3cccc4[nH]c(OC(=O)NC5CCC(O)(CCN6CC[C@H](O)[C@@H](C)C6)CC5)cc34)c12
• InChI: InChI=1S/C33H41N3O7/c1-21-18-36(15-11-26(21)37)16-14-33(39)12-9-23(10-13-33)34-32(38)43-30-17-24-25(35-30)5-3-6-27(24)41-19-22-20-42-29-8-4-7-28(40-2)31(22)29/h3-8,17,20-21,23,26,35,37,39H,9-16,18-19H2,1-2H3,(H,34,38)/t21-,23?,26-,33?/m0/s1
• InChIKey: CMYJSIQNXKTRJA-QTRGCQOLSA-N
• XLogP: 5.36
• TPSA: 129.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.71
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate?

The IUPAC name of [4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate (CID 67361469) is [4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate.

What is the SMILES notation for [4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate?

The canonical SMILES for [4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate is COc1cccc2occ(COc3cccc4[nH]c(OC(=O)NC5CCC(O)(CCN6CC[C@H](O)[C@@H](C)C6)CC5)cc34)c12.

What is the InChIKey of [4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate?

The InChIKey is CMYJSIQNXKTRJA-QTRGCQOLSA-N. The full InChI is InChI=1S/C33H41N3O7/c1-21-18-36(15-11-26(21)37)16-14-33(39)12-9-23(10-13-33)34-32(38)43-30-17-24-25(35-30)5-3-6-27(24)41-19-22-20-42-29-8-4-7-28(40-2)31(22)29/h3-8,17,20-21,23,26,35,37,39H,9-16,18-19H2,1-2H3,(H,34,38)/t21-,23?,26-,33?/m0/s1.

What are the key properties of [4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate?

[4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate has a molecular weight of 591.71 g/mol, XLogP of 5.36, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 67361469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).