1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C21H20F2N2OS — CID 132991428

IUPAC1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(c2ccc(F)cc2)CC1)c1csc2ccc(F)cc12
InChIInChI=1S/C21H20F2N2OS/c22-15-1-4-17(5-2-15)25-11-9-24(10-12-25)8-7-20(26)19-14-27-21-6-3-16(23)13-18(19)21/h1-6,13-14H,7-12H2
InChIKeyAUSYNOSMOCEPPZ-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.57
Rot. Bonds5

About 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 132991428) has the molecular formula C21H20F2N2OS and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID132991428
Molecular FormulaC21H20F2N2OS
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(c2ccc(F)cc2)CC1)c1csc2ccc(F)cc12
InChIInChI=1S/C21H20F2N2OS/c22-15-1-4-17(5-2-15)25-11-9-24(10-12-25)8-7-20(26)19-14-27-21-6-3-16(23)13-18(19)21/h1-6,13-14H,7-12H2
InChIKeyAUSYNOSMOCEPPZ-UHFFFAOYSA-N
XLogP4.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-4-(4-fluorophenyl)piperazine
CID 1326252
4-(1-Benzothien-3-ylcarbonyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 2932638
1-(2,5-Dimethylthiophen-3-yl)-3-(4-(naphthalen-1-yl)piperazin-1-yl)propan-1-one
CID 11794066
1-(1-Benzothien-3-ylcarbonyl)-4-(2,5-dimethylphenyl)piperazine
CID 995502
1-[(3-Chloro-6-fluoro-1-benzothien-2-yl)carbonyl]-4-phenylpiperazine
CID 2139584
1-Phenyl-4-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)piperazine
CID 3239124
6-fluoro-3-[4-(4-fluorophenyl)piperazin-1-yl]-4H-thiochromen-4-one
CID 7490255
1-(Benzo[b]thiophen-3-yl)-3-(4-(naphthalen-1-yl)piperazin-1-yl)propan-1-one
CID 10715991
5-[3-(Dimethylamino)propyl]-9-fluoro-[1]benzothiolo[2,3-c]quinolin-6-one
CID 10991847
3-(4-(Naphthalen-1-yl)piperazin-1-yl)-1-(thiophen-3-yl)propan-1-one
CID 11792177
[4-(4-Fluorophenyl)piperazin-1-yl]-[2-(4-methylsulfonylphenyl)-1-benzothiophen-3-yl]methanone
CID 44202233

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 132991428) is 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is O=C(CCN1CCN(c2ccc(F)cc2)CC1)c1csc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is AUSYNOSMOCEPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2OS/c22-15-1-4-17(5-2-15)25-11-9-24(10-12-25)8-7-20(26)19-14-27-21-6-3-16(23)13-18(19)21/h1-6,13-14H,7-12H2.
What are the key properties of 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 386.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 132991428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).