1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one

C25H25FN4O — CID 172879331

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one
SMILESCC(=O)C(=NNc1ccccc1-c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H25FN4O/c1-19(31)25(30-17-15-29(16-18-30)22-13-11-21(26)12-14-22)28-27-24-10-6-5-9-23(24)20-7-3-2-4-8-20/h2-14,27H,15-18H2,1H3
InChIKeyRBKBVNDTODUOIS-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.63
Rot. Bonds5

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one

1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one (PubChem CID 172879331) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one
PubChem CID172879331
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one
SMILESCC(=O)C(=NNc1ccccc1-c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H25FN4O/c1-19(31)25(30-17-15-29(16-18-30)22-13-11-21(26)12-14-22)28-27-24-10-6-5-9-23(24)20-7-3-2-4-8-20/h2-14,27H,15-18H2,1H3
InChIKeyRBKBVNDTODUOIS-UHFFFAOYSA-N
XLogP4.63
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one (CID 172879331) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one is CC(=O)C(=NNc1ccccc1-c1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one?
The InChIKey is RBKBVNDTODUOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c1-19(31)25(30-17-15-29(16-18-30)22-13-11-21(26)12-14-22)28-27-24-10-6-5-9-23(24)20-7-3-2-4-8-20/h2-14,27H,15-18H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one has a molecular weight of 416.50 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(2-phenylphenyl)hydrazinylidene]propan-2-one is sourced from PubChem (CID 172879331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).