About N-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
N-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 18379210) has the molecular formula C32H34N4O4
and a molecular weight of 538.65 g/mol. Its IUPAC name is N-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
Molecular Properties
| Compound Name | N-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide |
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| PubChem CID | 18379210 |
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| Molecular Formula | C32H34N4O4 |
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| Molecular Weight | 538.65 g/mol |
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| Exact Mass | 538.26 |
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| IUPAC Name | N-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide |
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| SMILES | Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(Cc4ccccc4)CC3)cc2)c2ccccc2n1 |
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| InChI | InChI=1S/C32H34N4O4/c1-23-19-26(28-9-5-6-10-29(28)33-23)22-40-27-13-11-25(12-14-27)31(38)34-32(20-30(37)35-39)15-17-36(18-16-32)21-24-7-3-2-4-8-24/h2-14,19,39H,15-18,20-22H2,1H3,(H,34,38)(H,35,37) |
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| InChIKey | PACKAWWLZSBYDP-UHFFFAOYSA-N |
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| XLogP | 4.78 |
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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 | 9 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 538.65 |
| LogP ≤ 5 | 4.78 |
| 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-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 18379210) is N-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(Cc4ccccc4)CC3)cc2)c2ccccc2n1.
What is the InChIKey of N-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is PACKAWWLZSBYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O4/c1-23-19-26(28-9-5-6-10-29(28)33-23)22-40-27-13-11-25(12-14-27)31(38)34-32(20-30(37)35-39)15-17-36(18-16-32)21-24-7-3-2-4-8-24/h2-14,19,39H,15-18,20-22H2,1H3,(H,34,38)(H,35,37).
What are the key properties of N-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 538.65 g/mol, XLogP of 4.78, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 18379210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).