2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride

C23H29Cl2F3N4O2 — CID 67030804

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
• PubChem CID: 67030804
• Molecular Formula: C23H29Cl2F3N4O2
• Molecular Weight: 521.41 g/mol
• Exact Mass: 520.16
• IUPAC Name: 2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
• SMILES: CC(=O)N1CCN(c2ccc(CCc3ccc(CC(=O)NN)cc3)c(C(F)(F)F)c2)CC1.Cl.Cl
• 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
• InChIKey: QOZAOQSHNZPYFI-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 78.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
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'}

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).