1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

C17H22FN3O2S — CID 120737939

IUPAC1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1CSCC1C(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C17H22FN3O2S/c1-2-16(22)21-11-24-10-15(21)17(23)20-7-6-19-9-14(20)12-4-3-5-13(18)8-12/h3-5,8,14-15,19H,2,6-7,9-11H2,1H3
InChIKeyVHJUHTJLLCFCCT-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.61
Rot. Bonds3

About 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 120737939) has the molecular formula C17H22FN3O2S and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID120737939
Molecular FormulaC17H22FN3O2S
Molecular Weight351.45 g/mol
Exact Mass351.14
IUPAC Name1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1CSCC1C(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C17H22FN3O2S/c1-2-16(22)21-11-24-10-15(21)17(23)20-7-6-19-9-14(20)12-4-3-5-13(18)8-12/h3-5,8,14-15,19H,2,6-7,9-11H2,1H3
InChIKeyVHJUHTJLLCFCCT-UHFFFAOYSA-N
XLogP1.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(thian-4-yl)methanone;hydrochloride
CID 120737909
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride
CID 120741358
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
(3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736289
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
2-(5-bromothiophen-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735590
[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120735469
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
CID 120735825
(4-bromo-1-ethylpyrrol-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735953

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one (CID 120737939) is 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one is CCC(=O)N1CSCC1C(=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is VHJUHTJLLCFCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2S/c1-2-16(22)21-11-24-10-15(21)17(23)20-7-6-19-9-14(20)12-4-3-5-13(18)8-12/h3-5,8,14-15,19H,2,6-7,9-11H2,1H3.
What are the key properties of 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one?
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 351.45 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 120737939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).