N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

C32H36FN3O4 — CID 46105694

About N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 46105694) has the molecular formula C32H36FN3O4 and a molecular weight of 545.66 g/mol. Its IUPAC name is N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
• PubChem CID: 46105694
• Molecular Formula: C32H36FN3O4
• Molecular Weight: 545.66 g/mol
• Exact Mass: 545.27
• IUPAC Name: N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
• SMILES: Cc1cccc(CN(C(=O)c2ccc(F)cc2)C2CCC(NC(=O)C3CCN(C(=O)c4ccco4)CC3)CC2)c1
• InChI: InChI=1S/C32H36FN3O4/c1-22-4-2-5-23(20-22)21-36(31(38)25-7-9-26(33)10-8-25)28-13-11-27(12-14-28)34-30(37)24-15-17-35(18-16-24)32(39)29-6-3-19-40-29/h2-10,19-20,24,27-28H,11-18,21H2,1H3,(H,34,37)
• InChIKey: WHBZLFWCRNBSCS-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 82.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.66
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?

The IUPAC name of N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 46105694) is N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?

The canonical SMILES for N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is Cc1cccc(CN(C(=O)c2ccc(F)cc2)C2CCC(NC(=O)C3CCN(C(=O)c4ccco4)CC3)CC2)c1.

What is the InChIKey of N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?

The InChIKey is WHBZLFWCRNBSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN3O4/c1-22-4-2-5-23(20-22)21-36(31(38)25-7-9-26(33)10-8-25)28-13-11-27(12-14-28)34-30(37)24-15-17-35(18-16-24)32(39)29-6-3-19-40-29/h2-10,19-20,24,27-28H,11-18,21H2,1H3,(H,34,37).

What are the key properties of N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?

N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 545.66 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46105694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).