About N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide
N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide (PubChem CID 72758726) has the molecular formula C27H40N4O5
and a molecular weight of 500.64 g/mol. Its IUPAC name is N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide.
Molecular Properties
| Compound Name | N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide |
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| PubChem CID | 72758726 |
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| Molecular Formula | C27H40N4O5 |
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| Molecular Weight | 500.64 g/mol |
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| Exact Mass | 500.30 |
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| IUPAC Name | N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide |
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| SMILES | CC(C)c1cccc(C2CCN(C(=O)C3NCC(CC(=O)N4CCOCC4)CC3C(=O)NO)CC2)c1 |
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| InChI | InChI=1S/C27H40N4O5/c1-18(2)21-4-3-5-22(16-21)20-6-8-31(9-7-20)27(34)25-23(26(33)29-35)14-19(17-28-25)15-24(32)30-10-12-36-13-11-30/h3-5,16,18-20,23,25,28,35H,6-15,17H2,1-2H3,(H,29,33) |
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| InChIKey | QJQGITNSLIYJNL-UHFFFAOYSA-N |
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| XLogP | 1.86 |
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| TPSA | 111.21 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 | 500.64 |
| LogP ≤ 5 | 1.86 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'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-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide (CID 72758726) is N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide is CC(C)c1cccc(C2CCN(C(=O)C3NCC(CC(=O)N4CCOCC4)CC3C(=O)NO)CC2)c1.
What is the InChIKey of N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide?
The InChIKey is QJQGITNSLIYJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O5/c1-18(2)21-4-3-5-22(16-21)20-6-8-31(9-7-20)27(34)25-23(26(33)29-35)14-19(17-28-25)15-24(32)30-10-12-36-13-11-30/h3-5,16,18-20,23,25,28,35H,6-15,17H2,1-2H3,(H,29,33).
What are the key properties of N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide?
N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide has a molecular weight of 500.64 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 72758726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).