1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one

C16H21FN4O4S — CID 45351245

IUPAC1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
SMILESCC(C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H21FN4O4S/c1-12(15(22)21-6-5-18-16(21)23)19-7-9-20(10-8-19)26(24,25)14-4-2-3-13(17)11-14/h2-4,11-12H,5-10H2,1H3,(H,18,23)
InChIKeyGTKZQRGWFXNOEY-UHFFFAOYSA-N
MW384.43 g/mol
LogP0.07
Rot. Bonds4

About 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one

1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one (PubChem CID 45351245) has the molecular formula C16H21FN4O4S and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
PubChem CID45351245
Molecular FormulaC16H21FN4O4S
Molecular Weight384.43 g/mol
Exact Mass384.13
IUPAC Name1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
SMILESCC(C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H21FN4O4S/c1-12(15(22)21-6-5-18-16(21)23)19-7-9-20(10-8-19)26(24,25)14-4-2-3-13(17)11-14/h2-4,11-12H,5-10H2,1H3,(H,18,23)
InChIKeyGTKZQRGWFXNOEY-UHFFFAOYSA-N
XLogP0.07
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45352676
1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45352776
1-[(2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanoyl]imidazolidin-2-one
CID 8692349
1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8787917
2-[1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 55344219
(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493165
N-(benzylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46630456
1-[(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]imidazolidin-2-one
CID 8692344
1-[(2S)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8972493
1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8972500
(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
(2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 8512523

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one (CID 45351245) is 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one is CC(C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
The InChIKey is GTKZQRGWFXNOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O4S/c1-12(15(22)21-6-5-18-16(21)23)19-7-9-20(10-8-19)26(24,25)14-4-2-3-13(17)11-14/h2-4,11-12H,5-10H2,1H3,(H,18,23).
What are the key properties of 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one has a molecular weight of 384.43 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 45351245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).