About (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide
(2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide (PubChem CID 142855441) has the molecular formula C25H33N5O2
and a molecular weight of 435.57 g/mol. Its IUPAC name is (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide.
Molecular Properties
| Compound Name | (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide |
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| PubChem CID | 142855441 |
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| Molecular Formula | C25H33N5O2 |
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| Molecular Weight | 435.57 g/mol |
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| Exact Mass | 435.26 |
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| IUPAC Name | (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide |
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| SMILES | [H]/N=C(C)/C(=N\Nc1cccc(O)c1)C(=O)NCCN1CCC(CCc2ccccc2)CC1 |
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| InChI | InChI=1S/C25H33N5O2/c1-19(26)24(29-28-22-8-5-9-23(31)18-22)25(32)27-14-17-30-15-12-21(13-16-30)11-10-20-6-3-2-4-7-20/h2-9,18,21,26,28,31H,10-17H2,1H3,(H,27,32)/b26-19+,29-24+ |
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| InChIKey | YRDNQTBWSSOVSC-NUOVBGLQSA-N |
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| XLogP | 3.66 |
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| TPSA | 100.81 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 32 |
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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 | 435.57 |
| LogP ≤ 5 | 3.66 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide?
The IUPAC name of (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide (CID 142855441) is (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide.
What is the SMILES notation for (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide?
The canonical SMILES for (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide is [H]/N=C(C)/C(=N\Nc1cccc(O)c1)C(=O)NCCN1CCC(CCc2ccccc2)CC1.
What is the InChIKey of (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide?
The InChIKey is YRDNQTBWSSOVSC-NUOVBGLQSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-19(26)24(29-28-22-8-5-9-23(31)18-22)25(32)27-14-17-30-15-12-21(13-16-30)11-10-20-6-3-2-4-7-20/h2-9,18,21,26,28,31H,10-17H2,1H3,(H,27,32)/b26-19+,29-24+.
What are the key properties of (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide?
(2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide has a molecular weight of 435.57 g/mol, XLogP of 3.66, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-hydroxyphenyl)hydrazinylidene]-3-imino-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 142855441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).