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

C30H32FN3O — CID 22585914

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

N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 22585914) has the molecular formula C30H32FN3O and a molecular weight of 469.60 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 22585914
• Molecular Formula: C30H32FN3O
• Molecular Weight: 469.60 g/mol
• Exact Mass: 469.25
• IUPAC Name: N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
• SMILES: Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccccc4F)CC3)cc3ccccc32)cc1
• InChI: InChI=1S/C30H32FN3O/c1-22-10-12-23(13-11-22)20-34-27(18-25-6-3-5-9-29(25)34)21-33-16-14-24(15-17-33)30(35)32-19-26-7-2-4-8-28(26)31/h2-13,18,24H,14-17,19-21H2,1H3,(H,32,35)
• InChIKey: CMIPSCXFQNGWFY-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 N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (CID 22585914) is N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.

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

The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccccc4F)CC3)cc3ccccc32)cc1.

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

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

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

N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]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 N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 22585914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).