1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one

C23H23FN4O — CID 172879323

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one
SMILESCC(=O)C(=NNc1ccc2ccccc2c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN4O/c1-17(29)23(26-25-21-9-6-18-4-2-3-5-19(18)16-21)28-14-12-27(13-15-28)22-10-7-20(24)8-11-22/h2-11,16,25H,12-15H2,1H3
InChIKeyWAPVWUTYROLUAH-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.12
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one

1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one (PubChem CID 172879323) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one
PubChem CID172879323
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one
SMILESCC(=O)C(=NNc1ccc2ccccc2c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN4O/c1-17(29)23(26-25-21-9-6-18-4-2-3-5-19(18)16-21)28-14-12-27(13-15-28)22-10-7-20(24)8-11-22/h2-11,16,25H,12-15H2,1H3
InChIKeyWAPVWUTYROLUAH-UHFFFAOYSA-N
XLogP4.12
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.12
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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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-yl-2-oxoacetamide
CID 108514130
(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one
CID 45140259
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-ylpropanamide
CID 2108911
7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one
CID 66572732
N-naphthalen-2-yl-2-oxopropanehydrazonoyl chloride
CID 172879202
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78871756
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 2969652
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 87030057
N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide
CID 68684136

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one (CID 172879323) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one is CC(=O)C(=NNc1ccc2ccccc2c1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one?
The InChIKey is WAPVWUTYROLUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-17(29)23(26-25-21-9-6-18-4-2-3-5-19(18)16-21)28-14-12-27(13-15-28)22-10-7-20(24)8-11-22/h2-11,16,25H,12-15H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one has a molecular weight of 390.46 g/mol, XLogP of 4.12, 4 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-(naphthalen-2-ylhydrazinylidene)propan-2-one is sourced from PubChem (CID 172879323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).