N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

C₁₉H₂₂F₂N₄O₃ — CID 166260394

About N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 166260394) has the molecular formula C₁₉H₂₂F₂N₄O₃ and a molecular weight of 392.41 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 166260394
• Molecular Formula: C₁₉H₂₂F₂N₄O₃
• Molecular Weight: 392.41 g/mol
• Exact Mass: 392.17
• IUPAC Name: N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
• SMILES: Cc1ccc(NC(=O)C(=O)N2CCC(c3cnn(C)c3)CC2)c(OC(F)F)c1
• InChI: InChI=1S/C19H22F2N4O3/c1-12-3-4-15(16(9-12)28-19(20)21)23-17(26)18(27)25-7-5-13(6-8-25)14-10-22-24(2)11-14/h3-4,9-11,13,19H,5-8H2,1-2H3,(H,23,26)
• InChIKey: JDBRLMXHESVYKE-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.41
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 166260394) is N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)N2CCC(c3cnn(C)c3)CC2)c(OC(F)F)c1.

What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?

The InChIKey is JDBRLMXHESVYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c1-12-3-4-15(16(9-12)28-19(20)21)23-17(26)18(27)25-7-5-13(6-8-25)14-10-22-24(2)11-14/h3-4,9-11,13,19H,5-8H2,1-2H3,(H,23,26).

What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?

N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 392.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 166260394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166260394 — identifiers, structure, computed properties (public domain)

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