About N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 18379443) has the molecular formula C31H32N4O4
and a molecular weight of 524.62 g/mol. Its IUPAC name is N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
Molecular Properties
| Compound Name | N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide |
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| PubChem CID | 18379443 |
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| Molecular Formula | C31H32N4O4 |
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| Molecular Weight | 524.62 g/mol |
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| Exact Mass | 524.24 |
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| IUPAC Name | N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide |
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| SMILES | Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(c4ccccc4)CC3)cc2)c2ccccc2n1 |
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| InChI | InChI=1S/C31H32N4O4/c1-22-19-24(27-9-5-6-10-28(27)32-22)21-39-26-13-11-23(12-14-26)30(37)33-31(20-29(36)34-38)15-17-35(18-16-31)25-7-3-2-4-8-25/h2-14,19,38H,15-18,20-21H2,1H3,(H,33,37)(H,34,36) |
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| InChIKey | FAKDVMIECOUVIL-UHFFFAOYSA-N |
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| XLogP | 4.79 |
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| TPSA | 103.79 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 524.62 |
| LogP ≤ 5 | 4.79 |
| 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-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 18379443) is N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(c4ccccc4)CC3)cc2)c2ccccc2n1.
What is the InChIKey of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is FAKDVMIECOUVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O4/c1-22-19-24(27-9-5-6-10-28(27)32-22)21-39-26-13-11-23(12-14-26)30(37)33-31(20-29(36)34-38)15-17-35(18-16-31)25-7-3-2-4-8-25/h2-14,19,38H,15-18,20-21H2,1H3,(H,33,37)(H,34,36).
What are the key properties of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 524.62 g/mol, XLogP of 4.79, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 18379443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).