About N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 21068532) has the molecular formula C26H44N4O5S
and a molecular weight of 524.73 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide.
Molecular Properties
| Compound Name | N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide |
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| PubChem CID | 21068532 |
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| Molecular Formula | C26H44N4O5S |
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| Molecular Weight | 524.73 g/mol |
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| Exact Mass | 524.30 |
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| IUPAC Name | N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide |
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| SMILES | CCCCC(C)Cc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)cc1 |
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| InChI | InChI=1S/C26H44N4O5S/c1-4-5-6-22(2)21-23-7-9-24(10-8-23)29-15-17-30(18-16-29)36(33,34)26(25(31)27-32)11-13-28(14-12-26)19-20-35-3/h7-10,22,32H,4-6,11-21H2,1-3H3,(H,27,31) |
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| InChIKey | RORPSIASVGPJOV-UHFFFAOYSA-N |
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| XLogP | 2.49 |
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| TPSA | 102.42 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 12 |
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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 | 524.73 |
| LogP ≤ 5 | 2.49 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide (CID 21068532) is N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide is CCCCC(C)Cc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)cc1.
What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is RORPSIASVGPJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N4O5S/c1-4-5-6-22(2)21-23-7-9-24(10-8-23)29-15-17-30(18-16-29)36(33,34)26(25(31)27-32)11-13-28(14-12-26)19-20-35-3/h7-10,22,32H,4-6,11-21H2,1-3H3,(H,27,31).
What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide?
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 524.73 g/mol, XLogP of 2.49, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 21068532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).