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

C18H20FN3O2 — CID 110730705

IUPAC5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=C(Cc1cccc(F)c1)N1CCN(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C18H20FN3O2/c19-16-3-1-2-14(10-16)11-18(24)22-8-6-21(7-9-22)13-15-4-5-17(23)20-12-15/h1-5,10,12H,6-9,11,13H2,(H,20,23)
InChIKeyIBSZETJXDYKGEQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.40
Rot. Bonds4

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

5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 110730705) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID110730705
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=C(Cc1cccc(F)c1)N1CCN(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C18H20FN3O2/c19-16-3-1-2-14(10-16)11-18(24)22-8-6-21(7-9-22)13-15-4-5-17(23)20-12-15/h1-5,10,12H,6-9,11,13H2,(H,20,23)
InChIKeyIBSZETJXDYKGEQ-UHFFFAOYSA-N
XLogP1.40
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 113073970
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709212
2-(3-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 9118318
2-(3-fluorophenyl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110804316
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
2-(3-fluorophenyl)-1-[4-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 138386689
2-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one
CID 75372446
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]ethanethioamide
CID 63336015
3-(3-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110604595
2-(3-fluorophenyl)-1-[4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110809747

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one (CID 110730705) is 5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one is O=C(Cc1cccc(F)c1)N1CCN(Cc2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is IBSZETJXDYKGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-16-3-1-2-14(10-16)11-18(24)22-8-6-21(7-9-22)13-15-4-5-17(23)20-12-15/h1-5,10,12H,6-9,11,13H2,(H,20,23).
What are the key properties of 5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one?
5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 329.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 110730705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).