2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide

C15H26IN7O2 — CID 109433314

About 2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide

2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide (PubChem CID 109433314) has the molecular formula C15H26IN7O2 and a molecular weight of 463.32 g/mol. Its IUPAC name is 2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide.

Molecular Properties

• Compound Name: 2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide
• PubChem CID: 109433314
• Molecular Formula: C15H26IN7O2
• Molecular Weight: 463.32 g/mol
• Exact Mass: 463.12
• IUPAC Name: 2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide
• SMILES: CCCNC(=O)CN/C(=N\C)N1CCN(c2cnn(C)c2)C(=O)C1.I
• InChI: InChI=1S/C15H25N7O2.HI/c1-4-5-17-13(23)9-18-15(16-2)21-6-7-22(14(24)11-21)12-8-19-20(3)10-12;/h8,10H,4-7,9,11H2,1-3H3,(H,16,18)(H,17,23);1H
• InChIKey: CJVBNKKXJPAXJX-UHFFFAOYSA-N
• XLogP: -0.21
• TPSA: 94.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.32
LogP ≤ 5	-0.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide?

The IUPAC name of 2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide (CID 109433314) is 2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide.

What is the SMILES notation for 2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide?

The canonical SMILES for 2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide is CCCNC(=O)CN/C(=N\C)N1CCN(c2cnn(C)c2)C(=O)C1.I.

What is the InChIKey of 2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide?

The InChIKey is CJVBNKKXJPAXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O2.HI/c1-4-5-17-13(23)9-18-15(16-2)21-6-7-22(14(24)11-21)12-8-19-20(3)10-12;/h8,10H,4-7,9,11H2,1-3H3,(H,16,18)(H,17,23);1H.

What are the key properties of 2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide?

2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide has a molecular weight of 463.32 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide is sourced from PubChem (CID 109433314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).