About N-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
N-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16961832) has the molecular formula C23H23N5O5S
and a molecular weight of 481.53 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide.
Molecular Properties
| Compound Name | N-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide |
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| PubChem CID | 16961832 |
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| Molecular Formula | C23H23N5O5S |
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| Molecular Weight | 481.53 g/mol |
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| Exact Mass | 481.14 |
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| IUPAC Name | N-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide |
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| SMILES | O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 |
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| InChI | InChI=1S/C23H23N5O5S/c29-20-7-2-1-6-18(20)24-22(31)15-8-10-27(11-9-15)13-21(30)26-23-25-19(14-34-23)16-4-3-5-17(12-16)28(32)33/h1-7,12,14-15,29H,8-11,13H2,(H,24,31)(H,25,26,30) |
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| InChIKey | ZDMPXQFESVZNME-UHFFFAOYSA-N |
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| XLogP | 3.71 |
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| TPSA | 137.70 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 481.53 |
| LogP ≤ 5 | 3.71 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide (CID 16961832) is N-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide is O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1.
What is the InChIKey of N-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is ZDMPXQFESVZNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5S/c29-20-7-2-1-6-18(20)24-22(31)15-8-10-27(11-9-15)13-21(30)26-23-25-19(14-34-23)16-4-3-5-17(12-16)28(32)33/h1-7,12,14-15,29H,8-11,13H2,(H,24,31)(H,25,26,30).
What are the key properties of N-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide?
N-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16961832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).