1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone

C17H19FN2OS — CID 110293046

IUPAC1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCN1CCN(C(=O)Cc2cccs2)CC1c1ccccc1F
InChIInChI=1S/C17H19FN2OS/c1-19-8-9-20(17(21)11-13-5-4-10-22-13)12-16(19)14-6-2-3-7-15(14)18/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyFWNIESHYSUTAMA-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.94
Rot. Bonds3

About 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone

1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 110293046) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID110293046
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCN1CCN(C(=O)Cc2cccs2)CC1c1ccccc1F
InChIInChI=1S/C17H19FN2OS/c1-19-8-9-20(17(21)11-13-5-4-10-22-13)12-16(19)14-6-2-3-7-15(14)18/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyFWNIESHYSUTAMA-UHFFFAOYSA-N
XLogP2.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293165
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 110293025
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110293052
2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110818292
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310464
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-(4-chlorophenyl)-4-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110310485
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one
CID 110310475
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone
CID 110293024
(E)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 110310490
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 110293021
(E)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylbut-2-en-1-one
CID 110310478

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone (CID 110293046) is 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone is CN1CCN(C(=O)Cc2cccs2)CC1c1ccccc1F.
What is the InChIKey of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is FWNIESHYSUTAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-19-8-9-20(17(21)11-13-5-4-10-22-13)12-16(19)14-6-2-3-7-15(14)18/h2-7,10,16H,8-9,11-12H2,1H3.
What are the key properties of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone?
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 318.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110293046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).