4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one

C11H13FN2O2S — CID 176557473

IUPAC4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CF)CC2=O)s1
InChIInChI=1S/C11H13FN2O2S/c1-8-2-3-11(17-8)14-5-4-13(7-10(14)16)9(15)6-12/h2-3H,4-7H2,1H3
InChIKeyWVOSDEGOHHVAHM-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.20
Rot. Bonds2

About 4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one

4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one (PubChem CID 176557473) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one
PubChem CID176557473
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC Name4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CF)CC2=O)s1
InChIInChI=1S/C11H13FN2O2S/c1-8-2-3-11(17-8)14-5-4-13(7-10(14)16)9(15)6-12/h2-3H,4-7H2,1H3
InChIKeyWVOSDEGOHHVAHM-UHFFFAOYSA-N
XLogP1.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(methylamino)-2-oxoethyl]-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide
CID 71862272
1-Thiophen-2-yl-4-(2-thiophen-2-ylethyl)piperazin-2-one
CID 132295927
N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide
CID 172831605
4-(2-Fluoroprop-2-enoyl)-1-(5-methylthiophen-2-yl)piperazin-2-one
CID 176112066
1-(5-Methylthiophen-2-yl)pyrrolidin-2-one
CID 101198751
[2-Oxo-2-[[5-(trifluoromethyl)thiophen-2-yl]amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate
CID 9458467
[2-Oxo-2-[[5-(trifluoromethyl)thiophen-2-yl]amino]ethyl] 4-methylpiperazine-1-carbodithioate
CID 9458468
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78787332
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78787438
1-[4-(4-Fluorophenyl)piperazin-1-yl]-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 108464353
1-[4-(2-Fluorophenyl)piperazin-1-yl]-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 108464468
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 112810865

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one?
The IUPAC name of 4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one (CID 176557473) is 4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one?
The canonical SMILES for 4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)CF)CC2=O)s1.
What is the InChIKey of 4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one?
The InChIKey is WVOSDEGOHHVAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S/c1-8-2-3-11(17-8)14-5-4-13(7-10(14)16)9(15)6-12/h2-3H,4-7H2,1H3.
What are the key properties of 4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one?
4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one has a molecular weight of 256.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one is sourced from PubChem (CID 176557473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).