About 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane
1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane (PubChem CID 142516176) has the molecular formula C25H41N7O2
and a molecular weight of 471.65 g/mol. Its IUPAC name is 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane.
Molecular Properties
| Compound Name | 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane |
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| PubChem CID | 142516176 |
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| Molecular Formula | C25H41N7O2 |
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| Molecular Weight | 471.65 g/mol |
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| Exact Mass | 471.33 |
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| IUPAC Name | 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane |
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| SMILES | CC.NC1CCN(CCCCn2ccc(Nc3ccc(C4(O)CCNCC4)cn3)nc2=O)CC1 |
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| InChI | InChI=1S/C23H35N7O2.C2H6/c24-19-5-14-29(15-6-19)12-1-2-13-30-16-7-21(28-22(30)31)27-20-4-3-18(17-26-20)23(32)8-10-25-11-9-23;1-2/h3-4,7,16-17,19,25,32H,1-2,5-6,8-15,24H2,(H,26,27,28,31);1-2H3 |
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| InChIKey | ZBGHPAMPKZWCQZ-UHFFFAOYSA-N |
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| XLogP | 2.18 |
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| TPSA | 121.33 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 471.65 |
| LogP ≤ 5 | 2.18 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane?
The IUPAC name of 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane (CID 142516176) is 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane.
What is the SMILES notation for 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane?
The canonical SMILES for 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane is CC.NC1CCN(CCCCn2ccc(Nc3ccc(C4(O)CCNCC4)cn3)nc2=O)CC1.
What is the InChIKey of 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane?
The InChIKey is ZBGHPAMPKZWCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N7O2.C2H6/c24-19-5-14-29(15-6-19)12-1-2-13-30-16-7-21(28-22(30)31)27-20-4-3-18(17-26-20)23(32)8-10-25-11-9-23;1-2/h3-4,7,16-17,19,25,32H,1-2,5-6,8-15,24H2,(H,26,27,28,31);1-2H3.
What are the key properties of 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane?
1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane has a molecular weight of 471.65 g/mol, XLogP of 2.18, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[[5-(4-hydroxypiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-2-one;ethane is sourced from PubChem (CID 142516176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).