2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone

C18H19FN2O2S — CID 110818292

IUPAC2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H19FN2O2S/c19-16-6-2-1-4-14(16)12-17(22)20-7-9-21(10-8-20)18(23)13-15-5-3-11-24-15/h1-6,11H,7-10,12-13H2
InChIKeyASFSVKIYVODOBU-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.34
Rot. Bonds4

About 2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone (PubChem CID 110818292) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
PubChem CID110818292
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H19FN2O2S/c19-16-6-2-1-4-14(16)12-17(22)20-7-9-21(10-8-20)18(23)13-15-5-3-11-24-15/h1-6,11H,7-10,12-13H2
InChIKeyASFSVKIYVODOBU-UHFFFAOYSA-N
XLogP2.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62502351
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293046
3,3-dimethyl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butan-1-one
CID 110818286
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110818300
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 110721392
1-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 110798668
4-[(2-fluorophenyl)methyl]-1-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-5-one
CID 26328534
2-(2-chlorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709213
2-thiophen-2-yl-1-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110802602

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone (CID 110818292) is 2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone is O=C(Cc1cccs1)N1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone?
The InChIKey is ASFSVKIYVODOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c19-16-6-2-1-4-14(16)12-17(22)20-7-9-21(10-8-20)18(23)13-15-5-3-11-24-15/h1-6,11H,7-10,12-13H2.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110818292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).