N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C28H30F2N2O3 — CID 42869899

About N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 42869899) has the molecular formula C28H30F2N2O3 and a molecular weight of 480.56 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 42869899
• Molecular Formula: C28H30F2N2O3
• Molecular Weight: 480.56 g/mol
• Exact Mass: 480.22
• IUPAC Name: N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
• SMILES: COc1ccc(NC(=O)C2CC(c3ccc(F)c(C)c3)CN(Cc3ccc(F)cc3)C2)c(OC)c1
• InChI: InChI=1S/C28H30F2N2O3/c1-18-12-20(6-10-25(18)30)21-13-22(17-32(16-21)15-19-4-7-23(29)8-5-19)28(33)31-26-11-9-24(34-2)14-27(26)35-3/h4-12,14,21-22H,13,15-17H2,1-3H3,(H,31,33)
• InChIKey: GKQFQRMFHHHAHN-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.56
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 42869899) is N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is COc1ccc(NC(=O)C2CC(c3ccc(F)c(C)c3)CN(Cc3ccc(F)cc3)C2)c(OC)c1.

What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?

The InChIKey is GKQFQRMFHHHAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N2O3/c1-18-12-20(6-10-25(18)30)21-13-22(17-32(16-21)15-19-4-7-23(29)8-5-19)28(33)31-26-11-9-24(34-2)14-27(26)35-3/h4-12,14,21-22H,13,15-17H2,1-3H3,(H,31,33).

What are the key properties of N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?

N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 480.56 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42869899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).