1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

C30H32FN3O — CID 50807728

About 1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 50807728) has the molecular formula C30H32FN3O and a molecular weight of 469.60 g/mol. Its IUPAC name is 1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
• PubChem CID: 50807728
• Molecular Formula: C30H32FN3O
• Molecular Weight: 469.60 g/mol
• Exact Mass: 469.25
• IUPAC Name: 1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
• SMILES: Cc1cccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c1
• InChI: InChI=1S/C30H32FN3O/c1-22-6-4-7-23(16-22)19-32-30(35)25-12-14-33(15-13-25)21-28-18-26-9-2-3-11-29(26)34(28)20-24-8-5-10-27(31)17-24/h2-11,16-18,25H,12-15,19-21H2,1H3,(H,32,35)
• InChIKey: OTNCLQCZXPMILC-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 37.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.60
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide (CID 50807728) is 1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide is Cc1cccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c1.

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

The InChIKey is OTNCLQCZXPMILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O/c1-22-6-4-7-23(16-22)19-32-30(35)25-12-14-33(15-13-25)21-28-18-26-9-2-3-11-29(26)34(28)20-24-8-5-10-27(31)17-24/h2-11,16-18,25H,12-15,19-21H2,1H3,(H,32,35).

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

1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 469.60 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50807728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).