4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide

C30H35ClN4O4 — CID 160967700

About 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide

4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide (PubChem CID 160967700) has the molecular formula C30H35ClN4O4 and a molecular weight of 551.09 g/mol. Its IUPAC name is 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide
• PubChem CID: 160967700
• Molecular Formula: C30H35ClN4O4
• Molecular Weight: 551.09 g/mol
• Exact Mass: 550.23
• IUPAC Name: 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide
• SMILES: NC(=O)c1cc2c(OCc3coc4cc(Cl)ccc34)cccc2n1C1CCN(CCN2CCC(O)CC2)CC1
• InChI: InChI=1S/C30H35ClN4O4/c31-21-4-5-24-20(19-39-29(24)16-21)18-38-28-3-1-2-26-25(28)17-27(30(32)37)35(26)22-6-10-33(11-7-22)14-15-34-12-8-23(36)9-13-34/h1-5,16-17,19,22-23,36H,6-15,18H2,(H2,32,37)
• InChIKey: SXVNRBMXLBLLJI-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 97.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.09
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide?

The IUPAC name of 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide (CID 160967700) is 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide.

What is the SMILES notation for 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide?

The canonical SMILES for 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide is NC(=O)c1cc2c(OCc3coc4cc(Cl)ccc34)cccc2n1C1CCN(CCN2CCC(O)CC2)CC1.

What is the InChIKey of 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide?

The InChIKey is SXVNRBMXLBLLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O4/c31-21-4-5-24-20(19-39-29(24)16-21)18-38-28-3-1-2-26-25(28)17-27(30(32)37)35(26)22-6-10-33(11-7-22)14-15-34-12-8-23(36)9-13-34/h1-5,16-17,19,22-23,36H,6-15,18H2,(H2,32,37).

What are the key properties of 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide?

4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide has a molecular weight of 551.09 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide is sourced from PubChem (CID 160967700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).