2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one

C17H19FN4O2 — CID 121079760

IUPAC2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one
SMILESCC(C(=O)N1CCN(c2ccccc2F)CC1)n1ncccc1=O
InChIInChI=1S/C17H19FN4O2/c1-13(22-16(23)7-4-8-19-22)17(24)21-11-9-20(10-12-21)15-6-3-2-5-14(15)18/h2-8,13H,9-12H2,1H3
InChIKeyVDAJONPXUJPLBJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.29
Rot. Bonds3

About 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one

2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one (PubChem CID 121079760) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one
PubChem CID121079760
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one
SMILESCC(C(=O)N1CCN(c2ccccc2F)CC1)n1ncccc1=O
InChIInChI=1S/C17H19FN4O2/c1-13(22-16(23)7-4-8-19-22)17(24)21-11-9-20(10-12-21)15-6-3-2-5-14(15)18/h2-8,13H,9-12H2,1H3
InChIKeyVDAJONPXUJPLBJ-UHFFFAOYSA-N
XLogP1.29
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517442
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076117
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
CID 95577530
(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 40697011
4-(2-fluorophenyl)-N-propan-2-ylpiperazine-1-carbothioamide
CID 2459541
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one?
The IUPAC name of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one (CID 121079760) is 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one.
What is the SMILES notation for 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one?
The canonical SMILES for 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one is CC(C(=O)N1CCN(c2ccccc2F)CC1)n1ncccc1=O.
What is the InChIKey of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one?
The InChIKey is VDAJONPXUJPLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-13(22-16(23)7-4-8-19-22)17(24)21-11-9-20(10-12-21)15-6-3-2-5-14(15)18/h2-8,13H,9-12H2,1H3.
What are the key properties of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one?
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one has a molecular weight of 330.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one is sourced from PubChem (CID 121079760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).