2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one

C18H19FN2O4 — CID 75372446

IUPAC2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one
SMILESO=C(Cc1cccc(F)c1)N1CCN(Cc2cc(=O)c(O)co2)CC1
InChIInChI=1S/C18H19FN2O4/c19-14-3-1-2-13(8-14)9-18(24)21-6-4-20(5-7-21)11-15-10-16(22)17(23)12-25-15/h1-3,8,10,12,23H,4-7,9,11H2
InChIKeyHNEHOAIBOAUERH-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.37
Rot. Bonds4

About 2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one

2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one (PubChem CID 75372446) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one
PubChem CID75372446
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one
SMILESO=C(Cc1cccc(F)c1)N1CCN(Cc2cc(=O)c(O)co2)CC1
InChIInChI=1S/C18H19FN2O4/c19-14-3-1-2-13(8-14)9-18(24)21-6-4-20(5-7-21)11-15-10-16(22)17(23)12-25-15/h1-3,8,10,12,23H,4-7,9,11H2
InChIKeyHNEHOAIBOAUERH-UHFFFAOYSA-N
XLogP1.37
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
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5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
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1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
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1-[4-(2-aminoacetyl)-1,4-diazepan-1-yl]-2-(3-fluorophenyl)ethanone
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3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
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CID 63336015
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CID 113081269
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one (CID 75372446) is 2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one is O=C(Cc1cccc(F)c1)N1CCN(Cc2cc(=O)c(O)co2)CC1.
What is the InChIKey of 2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one?
The InChIKey is HNEHOAIBOAUERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c19-14-3-1-2-13(8-14)9-18(24)21-6-4-20(5-7-21)11-15-10-16(22)17(23)12-25-15/h1-3,8,10,12,23H,4-7,9,11H2.
What are the key properties of 2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one?
2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one has a molecular weight of 346.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 75372446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).