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

C30H32ClN3O — CID 50807625

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

N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 50807625) has the molecular formula C30H32ClN3O and a molecular weight of 486.06 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 50807625
• Molecular Formula: C30H32ClN3O
• Molecular Weight: 486.06 g/mol
• Exact Mass: 485.22
• IUPAC Name: N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
• SMILES: Cc1cccc(Cn2c(CN3CCC(C(=O)NCc4cccc(Cl)c4)CC3)cc3ccccc32)c1
• InChI: InChI=1S/C30H32ClN3O/c1-22-6-4-8-24(16-22)20-34-28(18-26-9-2-3-11-29(26)34)21-33-14-12-25(13-15-33)30(35)32-19-23-7-5-10-27(31)17-23/h2-11,16-18,25H,12-15,19-21H2,1H3,(H,32,35)
• InChIKey: OUBWOPZUEFAGEF-UHFFFAOYSA-N
• XLogP: 6.18
• 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	486.06
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (CID 50807625) is N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.

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

The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is Cc1cccc(Cn2c(CN3CCC(C(=O)NCc4cccc(Cl)c4)CC3)cc3ccccc32)c1.

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

The InChIKey is OUBWOPZUEFAGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN3O/c1-22-6-4-8-24(16-22)20-34-28(18-26-9-2-3-11-29(26)34)21-33-14-12-25(13-15-33)30(35)32-19-23-7-5-10-27(31)17-23/h2-11,16-18,25H,12-15,19-21H2,1H3,(H,32,35).

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

N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 486.06 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50807625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).