About 2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 170620687) has the molecular formula C35H68N8O4
and a molecular weight of 664.98 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.
Molecular Properties
| Compound Name | 2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone |
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| PubChem CID | 170620687 |
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| Molecular Formula | C35H68N8O4 |
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| Molecular Weight | 664.98 g/mol |
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| Exact Mass | 664.54 |
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| IUPAC Name | 2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone |
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| SMILES | CCN1CCN(CC(=O)N2CCN(CC3CCN(C)CC3)CC2)CC1.COCCOCC(=O)N1CCN(CC2CCN(C)CC2)CC1 |
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| InChI | InChI=1S/C19H37N5O.C16H31N3O3/c1-3-21-8-10-23(11-9-21)17-19(25)24-14-12-22(13-15-24)16-18-4-6-20(2)7-5-18;1-17-5-3-15(4-6-17)13-18-7-9-19(10-8-18)16(20)14-22-12-11-21-2/h18H,3-17H2,1-2H3;15H,3-14H2,1-2H3 |
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| InChIKey | YOFDIVFKMLBIHC-UHFFFAOYSA-N |
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| XLogP | 0.25 |
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| TPSA | 78.52 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 47 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 664.98 |
| LogP ≤ 5 | 0.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Analyze 2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (CID 170620687) is 2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is CCN1CCN(CC(=O)N2CCN(CC3CCN(C)CC3)CC2)CC1.COCCOCC(=O)N1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is YOFDIVFKMLBIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O.C16H31N3O3/c1-3-21-8-10-23(11-9-21)17-19(25)24-14-12-22(13-15-24)16-18-4-6-20(2)7-5-18;1-17-5-3-15(4-6-17)13-18-7-9-19(10-8-18)16(20)14-22-12-11-21-2/h18H,3-17H2,1-2H3;15H,3-14H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 664.98 g/mol, XLogP of 0.25, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 170620687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).