3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

C26H38N4O2 — CID 45250387

About 3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (PubChem CID 45250387) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
• PubChem CID: 45250387
• Molecular Formula: C26H38N4O2
• Molecular Weight: 438.62 g/mol
• Exact Mass: 438.30
• IUPAC Name: 3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
• SMILES: COc1ccc(NC(=O)CCC2CCCN(Cc3cn[nH]c3C3CCCCC3)C2)c(C)c1
• InChI: InChI=1S/C26H38N4O2/c1-19-15-23(32-2)11-12-24(19)28-25(31)13-10-20-7-6-14-30(17-20)18-22-16-27-29-26(22)21-8-4-3-5-9-21/h11-12,15-16,20-21H,3-10,13-14,17-18H2,1-2H3,(H,27,29)(H,28,31)
• InChIKey: ABOIHPSOYKEEQF-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.62
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?

The IUPAC name of 3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (CID 45250387) is 3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.

What is the SMILES notation for 3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?

The canonical SMILES for 3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is COc1ccc(NC(=O)CCC2CCCN(Cc3cn[nH]c3C3CCCCC3)C2)c(C)c1.

What is the InChIKey of 3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?

The InChIKey is ABOIHPSOYKEEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-19-15-23(32-2)11-12-24(19)28-25(31)13-10-20-7-6-14-30(17-20)18-22-16-27-29-26(22)21-8-4-3-5-9-21/h11-12,15-16,20-21H,3-10,13-14,17-18H2,1-2H3,(H,27,29)(H,28,31).

What are the key properties of 3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?

3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide has a molecular weight of 438.62 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 45250387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).