1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

C28H33N5O — CID 50807719

About 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 50807719) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 50807719
• Molecular Formula: C28H33N5O
• Molecular Weight: 455.61 g/mol
• Exact Mass: 455.27
• IUPAC Name: 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
• SMILES: Cc1ccccc1Cn1c(CN2CCC(C(=O)NCc3cn[nH]c3C)CC2)cc2ccccc21
• InChI: InChI=1S/C28H33N5O/c1-20-7-3-4-9-24(20)18-33-26(15-23-8-5-6-10-27(23)33)19-32-13-11-22(12-14-32)28(34)29-16-25-17-30-31-21(25)2/h3-10,15,17,22H,11-14,16,18-19H2,1-2H3,(H,29,34)(H,30,31)
• InChIKey: SVHBSIOZRRJGLI-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 65.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.61
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 50807719) is 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide is Cc1ccccc1Cn1c(CN2CCC(C(=O)NCc3cn[nH]c3C)CC2)cc2ccccc21.

What is the InChIKey of 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?

The InChIKey is SVHBSIOZRRJGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c1-20-7-3-4-9-24(20)18-33-26(15-23-8-5-6-10-27(23)33)19-32-13-11-22(12-14-32)28(34)29-16-25-17-30-31-21(25)2/h3-10,15,17,22H,11-14,16,18-19H2,1-2H3,(H,29,34)(H,30,31).

What are the key properties of 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?

1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50807719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).