N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

C17H24N6O3 — CID 167794133

About N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 167794133) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 167794133
• Molecular Formula: C17H24N6O3
• Molecular Weight: 360.42 g/mol
• Exact Mass: 360.19
• IUPAC Name: N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
• SMILES: COc1nn(C)cc1CNC(=O)C(=O)N1CCCCC1c1cnn(C)c1
• InChI: InChI=1S/C17H24N6O3/c1-21-10-12(9-19-21)14-6-4-5-7-23(14)17(25)15(24)18-8-13-11-22(2)20-16(13)26-3/h9-11,14H,4-8H2,1-3H3,(H,18,24)
• InChIKey: ZDKLBTPODDQNEY-UHFFFAOYSA-N
• XLogP: 0.53
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.42
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 167794133) is N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is COc1nn(C)cc1CNC(=O)C(=O)N1CCCCC1c1cnn(C)c1.

What is the InChIKey of N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?

The InChIKey is ZDKLBTPODDQNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-21-10-12(9-19-21)14-6-4-5-7-23(14)17(25)15(24)18-8-13-11-22(2)20-16(13)26-3/h9-11,14H,4-8H2,1-3H3,(H,18,24).

What are the key properties of N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?

N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 360.42 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 167794133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).