About 2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride (PubChem CID 67030804) has the molecular formula C23H29Cl2F3N4O2
and a molecular weight of 521.41 g/mol. Its IUPAC name is 2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride.
Molecular Properties
| Compound Name | 2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride |
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| PubChem CID | 67030804 |
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| Molecular Formula | C23H29Cl2F3N4O2 |
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| Molecular Weight | 521.41 g/mol |
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| Exact Mass | 520.16 |
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| IUPAC Name | 2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride |
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| SMILES | CC(=O)N1CCN(c2ccc(CCc3ccc(CC(=O)NN)cc3)c(C(F)(F)F)c2)CC1.Cl.Cl |
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| InChI | InChI=1S/C23H27F3N4O2.2ClH/c1-16(31)29-10-12-30(13-11-29)20-9-8-19(21(15-20)23(24,25)26)7-6-17-2-4-18(5-3-17)14-22(32)28-27;;/h2-5,8-9,15H,6-7,10-14,27H2,1H3,(H,28,32);2*1H |
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| InChIKey | QOZAOQSHNZPYFI-UHFFFAOYSA-N |
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| XLogP | 3.54 |
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| TPSA | 78.67 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 521.41 |
| LogP ≤ 5 | 3.54 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride?
The IUPAC name of 2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride (CID 67030804) is 2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride.
What is the SMILES notation for 2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride?
The canonical SMILES for 2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride is CC(=O)N1CCN(c2ccc(CCc3ccc(CC(=O)NN)cc3)c(C(F)(F)F)c2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride?
The InChIKey is QOZAOQSHNZPYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2.2ClH/c1-16(31)29-10-12-30(13-11-29)20-9-8-19(21(15-20)23(24,25)26)7-6-17-2-4-18(5-3-17)14-22(32)28-27;;/h2-5,8-9,15H,6-7,10-14,27H2,1H3,(H,28,32);2*1H.
What are the key properties of 2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride?
2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride has a molecular weight of 521.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride is sourced from PubChem (CID 67030804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).