6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide

C32H36N4O3 — CID 58456925

About 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide

6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide (PubChem CID 58456925) has the molecular formula C32H36N4O3 and a molecular weight of 524.67 g/mol. Its IUPAC name is 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 58456925
• Molecular Formula: C32H36N4O3
• Molecular Weight: 524.67 g/mol
• Exact Mass: 524.28
• IUPAC Name: 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
• SMILES: Cc1ccc(N2CCC(Oc3ccc4cc(C(=O)NC5CCN(Cc6ccncc6)CC5)oc4c3)CC2)cc1
• InChI: InChI=1S/C32H36N4O3/c1-23-2-5-27(6-3-23)36-18-12-28(13-19-36)38-29-7-4-25-20-31(39-30(25)21-29)32(37)34-26-10-16-35(17-11-26)22-24-8-14-33-15-9-24/h2-9,14-15,20-21,26,28H,10-13,16-19,22H2,1H3,(H,34,37)
• InChIKey: RAYCWWNCNIWIOM-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.67
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide?

The IUPAC name of 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide (CID 58456925) is 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide is Cc1ccc(N2CCC(Oc3ccc4cc(C(=O)NC5CCN(Cc6ccncc6)CC5)oc4c3)CC2)cc1.

What is the InChIKey of 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide?

The InChIKey is RAYCWWNCNIWIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O3/c1-23-2-5-27(6-3-23)36-18-12-28(13-19-36)38-29-7-4-25-20-31(39-30(25)21-29)32(37)34-26-10-16-35(17-11-26)22-24-8-14-33-15-9-24/h2-9,14-15,20-21,26,28H,10-13,16-19,22H2,1H3,(H,34,37).

What are the key properties of 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide?

6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide has a molecular weight of 524.67 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 58456925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).