1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C26H28FN3O — CID 110232298

About 1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110232298) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 110232298
• Molecular Formula: C26H28FN3O
• Molecular Weight: 417.53 g/mol
• Exact Mass: 417.22
• IUPAC Name: 1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccccc2F)C1
• InChI: InChI=1S/C26H28FN3O/c1-28-25(31)26(13-4-16-30(19-26)18-23-5-2-3-6-24(23)27)17-20-7-9-21(10-8-20)22-11-14-29-15-12-22/h2-3,5-12,14-15H,4,13,16-19H2,1H3,(H,28,31)
• InChIKey: UFIUYUOBIPGWLD-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.53
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 110232298) is 1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccccc2F)C1.

What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is UFIUYUOBIPGWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c1-28-25(31)26(13-4-16-30(19-26)18-23-5-2-3-6-24(23)27)17-20-7-9-21(10-8-20)22-11-14-29-15-12-22/h2-3,5-12,14-15H,4,13,16-19H2,1H3,(H,28,31).

What are the key properties of 1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).