5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide

C33H35N5O5 — CID 66757287

About 5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide

5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide (PubChem CID 66757287) has the molecular formula C33H35N5O5 and a molecular weight of 581.67 g/mol. Its IUPAC name is 5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 66757287
• Molecular Formula: C33H35N5O5
• Molecular Weight: 581.67 g/mol
• Exact Mass: 581.26
• IUPAC Name: 5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
• SMILES: NC(=O)c1ccc(CN2CCC(Oc3ccc4oc(C(=O)NC5CCN(C(=O)c6ccncc6)CC5)cc4c3)CC2)cc1
• InChI: InChI=1S/C33H35N5O5/c34-31(39)23-3-1-22(2-4-23)21-37-15-11-27(12-16-37)42-28-5-6-29-25(19-28)20-30(43-29)32(40)36-26-9-17-38(18-10-26)33(41)24-7-13-35-14-8-24/h1-8,13-14,19-20,26-27H,9-12,15-18,21H2,(H2,34,39)(H,36,40)
• InChIKey: OXYIRMZBAQJLTM-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 131.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.67
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide?

The IUPAC name of 5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide (CID 66757287) is 5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide is NC(=O)c1ccc(CN2CCC(Oc3ccc4oc(C(=O)NC5CCN(C(=O)c6ccncc6)CC5)cc4c3)CC2)cc1.

What is the InChIKey of 5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide?

The InChIKey is OXYIRMZBAQJLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O5/c34-31(39)23-3-1-22(2-4-23)21-37-15-11-27(12-16-37)42-28-5-6-29-25(19-28)20-30(43-29)32(40)36-26-9-17-38(18-10-26)33(41)24-7-13-35-14-8-24/h1-8,13-14,19-20,26-27H,9-12,15-18,21H2,(H2,34,39)(H,36,40).

What are the key properties of 5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide?

5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide has a molecular weight of 581.67 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(4-carbamoylphenyl)methyl]piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 66757287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).