Ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate

C₁₅H₂₂N₄O₃ — CID 153363112

About Ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate

Ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate (PubChem CID 153363112) has the molecular formula C₁₅H₂₂N₄O₃ and a molecular weight of 306.37 g/mol. Its IUPAC name is ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate.

Molecular Properties

• Compound Name: Ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate
• PubChem CID: 153363112
• Molecular Formula: C₁₅H₂₂N₄O₃
• Molecular Weight: 306.37 g/mol
• Exact Mass: 306.17
• IUPAC Name: ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate
• SMILES: CCOC(=O)/C=C/c1cn(C)c(=O)c(N2CCN(C)CC2)n1
• InChI: InChI=1S/C15H22N4O3/c1-4-22-13(20)6-5-12-11-18(3)15(21)14(16-12)19-9-7-17(2)8-10-19/h5-6,11H,4,7-10H2,1-3H3/b6-5+
• InChIKey: HIDHWOCHTFQWBF-AATRIKPKSA-N
• XLogP: 0.11
• TPSA: 67.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.37
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate?

The IUPAC name of Ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate (CID 153363112) is ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate.

What is the SMILES notation for Ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate?

The canonical SMILES for Ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate is CCOC(=O)/C=C/c1cn(C)c(=O)c(N2CCN(C)CC2)n1.

What is the InChIKey of Ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate?

The InChIKey is HIDHWOCHTFQWBF-AATRIKPKSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-4-22-13(20)6-5-12-11-18(3)15(21)14(16-12)19-9-7-17(2)8-10-19/h5-6,11H,4,7-10H2,1-3H3/b6-5+.

What are the key properties of Ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate?

Ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate has a molecular weight of 306.37 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate is sourced from PubChem (CID 153363112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153363112 — identifiers, structure, computed properties (public domain)

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