About 1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione (PubChem CID 13474241) has the molecular formula C24H42N8O4
and a molecular weight of 506.65 g/mol. Its IUPAC name is 1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione.
Molecular Properties
| Compound Name | 1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione |
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| PubChem CID | 13474241 |
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| Molecular Formula | C24H42N8O4 |
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| Molecular Weight | 506.65 g/mol |
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| Exact Mass | 506.33 |
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| IUPAC Name | 1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione |
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| SMILES | CN(CN1C(=O)CN(CCN2CC(=O)N(CN(C)N3CCCCC3)C(=O)C2)CC1=O)N1CCCCC1 |
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| InChI | InChI=1S/C24H42N8O4/c1-25(29-9-5-3-6-10-29)19-31-21(33)15-27(16-22(31)34)13-14-28-17-23(35)32(24(36)18-28)20-26(2)30-11-7-4-8-12-30/h3-20H2,1-2H3 |
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| InChIKey | OWFJDDVVEMVHCJ-UHFFFAOYSA-N |
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| XLogP | -1.09 |
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| TPSA | 94.20 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 506.65 |
| LogP ≤ 5 | -1.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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Analyze 1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione?
The IUPAC name of 1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione (CID 13474241) is 1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione.
What is the SMILES notation for 1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione?
The canonical SMILES for 1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione is CN(CN1C(=O)CN(CCN2CC(=O)N(CN(C)N3CCCCC3)C(=O)C2)CC1=O)N1CCCCC1.
What is the InChIKey of 1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione?
The InChIKey is OWFJDDVVEMVHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N8O4/c1-25(29-9-5-3-6-10-29)19-31-21(33)15-27(16-22(31)34)13-14-28-17-23(35)32(24(36)18-28)20-26(2)30-11-7-4-8-12-30/h3-20H2,1-2H3.
What are the key properties of 1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione?
1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione has a molecular weight of 506.65 g/mol, XLogP of -1.09, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione is sourced from PubChem (CID 13474241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).