About N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol
N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol (PubChem CID 143958935) has the molecular formula C27H44FN5O3
and a molecular weight of 505.68 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol.
Molecular Properties
| Compound Name | N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol |
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| PubChem CID | 143958935 |
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| Molecular Formula | C27H44FN5O3 |
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| Molecular Weight | 505.68 g/mol |
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| Exact Mass | 505.34 |
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| IUPAC Name | N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol |
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| SMILES | COC1CCN(CC(=O)NC2CCCCC2)CC1.[H]/N=C(/c1cc(F)ccc1O)N1CCN(CC)CC1 |
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| InChI | InChI=1S/C14H26N2O2.C13H18FN3O/c1-18-13-7-9-16(10-8-13)11-14(17)15-12-5-3-2-4-6-12;1-2-16-5-7-17(8-6-16)13(15)11-9-10(14)3-4-12(11)18/h12-13H,2-11H2,1H3,(H,15,17);3-4,9,15,18H,2,5-8H2,1H3/b;15-13- |
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| InChIKey | ISGAVDKRGRABLZ-SBAYNDRKSA-N |
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| XLogP | 3.04 |
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| TPSA | 92.13 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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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 | 505.68 |
| LogP ≤ 5 | 3.04 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol?
The IUPAC name of N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol (CID 143958935) is N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol.
What is the SMILES notation for N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol?
The canonical SMILES for N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol is COC1CCN(CC(=O)NC2CCCCC2)CC1.[H]/N=C(/c1cc(F)ccc1O)N1CCN(CC)CC1.
What is the InChIKey of N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol?
The InChIKey is ISGAVDKRGRABLZ-SBAYNDRKSA-N. The full InChI is InChI=1S/C14H26N2O2.C13H18FN3O/c1-18-13-7-9-16(10-8-13)11-14(17)15-12-5-3-2-4-6-12;1-2-16-5-7-17(8-6-16)13(15)11-9-10(14)3-4-12(11)18/h12-13H,2-11H2,1H3,(H,15,17);3-4,9,15,18H,2,5-8H2,1H3/b;15-13-.
What are the key properties of N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol?
N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol has a molecular weight of 505.68 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methoxypiperidin-1-yl)acetamide;2-(4-ethylpiperazine-1-carboximidoyl)-4-fluorophenol is sourced from PubChem (CID 143958935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).