2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid

C₁₉H₃₈N₄O₆ — CID 154907400

About 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid

2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid (PubChem CID 154907400) has the molecular formula C₁₉H₃₈N₄O₆ and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid.

Molecular Properties

• Compound Name: 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid
• PubChem CID: 154907400
• Molecular Formula: C₁₉H₃₈N₄O₆
• Molecular Weight: 418.54 g/mol
• Exact Mass: 418.28
• IUPAC Name: 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid
• SMILES: CCN1CCN(CC(=O)NCC2CCCN(CCOC)C2)CC1.O=CO.O=CO
• InChI: InChI=1S/C17H34N4O2.2CH2O2/c1-3-19-7-9-21(10-8-19)15-17(22)18-13-16-5-4-6-20(14-16)11-12-23-2;2*2-1-3/h16H,3-15H2,1-2H3,(H,18,22);2*1H,(H,2,3)
• InChIKey: APDHYAZXHLQOLO-UHFFFAOYSA-N
• XLogP: -0.50
• TPSA: 122.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.54
LogP ≤ 5	-0.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid?

The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid (CID 154907400) is 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid.

What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid?

The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid is CCN1CCN(CC(=O)NCC2CCCN(CCOC)C2)CC1.O=CO.O=CO.

What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid?

The InChIKey is APDHYAZXHLQOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2.2CH2O2/c1-3-19-7-9-21(10-8-19)15-17(22)18-13-16-5-4-6-20(14-16)11-12-23-2;2*2-1-3/h16H,3-15H2,1-2H3,(H,18,22);2*1H,(H,2,3).

What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid?

2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid has a molecular weight of 418.54 g/mol, XLogP of -0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid is sourced from PubChem (CID 154907400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154907400 — identifiers, structure, computed properties (public domain)

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