About N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone (PubChem CID 177321628) has the molecular formula C34H66N8O2
and a molecular weight of 618.96 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone.
Molecular Properties
| Compound Name | N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone |
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| PubChem CID | 177321628 |
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| Molecular Formula | C34H66N8O2 |
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| Molecular Weight | 618.96 g/mol |
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| Exact Mass | 618.53 |
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| IUPAC Name | N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone |
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| SMILES | CN1CCC(CC(=O)N2CCC(CN3CCN(C)CC3)CC2)CC1.CN1CCC(CC(=O)NCCN2CCN(C)CC2)CC1 |
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| InChI | InChI=1S/C19H36N4O.C15H30N4O/c1-20-7-3-17(4-8-20)15-19(24)23-9-5-18(6-10-23)16-22-13-11-21(2)12-14-22;1-17-6-3-14(4-7-17)13-15(20)16-5-8-19-11-9-18(2)10-12-19/h17-18H,3-16H2,1-2H3;14H,3-13H2,1-2H3,(H,16,20) |
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| InChIKey | VXMNMXLXIQJNJN-UHFFFAOYSA-N |
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| XLogP | 1.29 |
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| TPSA | 68.85 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 618.96 |
| LogP ≤ 5 | 1.29 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone (CID 177321628) is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone is CN1CCC(CC(=O)N2CCC(CN3CCN(C)CC3)CC2)CC1.CN1CCC(CC(=O)NCCN2CCN(C)CC2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The InChIKey is VXMNMXLXIQJNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O.C15H30N4O/c1-20-7-3-17(4-8-20)15-19(24)23-9-5-18(6-10-23)16-22-13-11-21(2)12-14-22;1-17-6-3-14(4-7-17)13-15(20)16-5-8-19-11-9-18(2)10-12-19/h17-18H,3-16H2,1-2H3;14H,3-13H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 618.96 g/mol, XLogP of 1.29, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 177321628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).