[4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate

C33H42N4O5 — CID 69028140

About [4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate

[4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate (PubChem CID 69028140) has the molecular formula C33H42N4O5 and a molecular weight of 574.72 g/mol. Its IUPAC name is [4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: [4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate
• PubChem CID: 69028140
• Molecular Formula: C33H42N4O5
• Molecular Weight: 574.72 g/mol
• Exact Mass: 574.32
• IUPAC Name: [4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate
• SMILES: Cc1cc2occ(COc3cccc4[nH]c(OC(=O)NC5CCN(C[C@H](C)N6CCC(O)CC6)CC5)cc34)c2cc1C
• InChI: InChI=1S/C33H42N4O5/c1-21-15-27-24(20-41-31(27)16-22(21)2)19-40-30-6-4-5-29-28(30)17-32(35-29)42-33(39)34-25-7-11-36(12-8-25)18-23(3)37-13-9-26(38)10-14-37/h4-6,15-17,20,23,25-26,35,38H,7-14,18-19H2,1-3H3,(H,34,39)/t23-/m0/s1
• InChIKey: UVDZVBOUIYUCCG-QHCPKHFHSA-N
• XLogP: 5.51
• TPSA: 103.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.72
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate?

The IUPAC name of [4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate (CID 69028140) is [4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate.

What is the SMILES notation for [4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate?

The canonical SMILES for [4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate is Cc1cc2occ(COc3cccc4[nH]c(OC(=O)NC5CCN(C[C@H](C)N6CCC(O)CC6)CC5)cc34)c2cc1C.

What is the InChIKey of [4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate?

The InChIKey is UVDZVBOUIYUCCG-QHCPKHFHSA-N. The full InChI is InChI=1S/C33H42N4O5/c1-21-15-27-24(20-41-31(27)16-22(21)2)19-40-30-6-4-5-29-28(30)17-32(35-29)42-33(39)34-25-7-11-36(12-8-25)18-23(3)37-13-9-26(38)10-14-37/h4-6,15-17,20,23,25-26,35,38H,7-14,18-19H2,1-3H3,(H,34,39)/t23-/m0/s1.

What are the key properties of [4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate?

[4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate has a molecular weight of 574.72 g/mol, XLogP of 5.51, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 69028140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).