4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one

C16H22FN3O4S — CID 142170723

IUPAC4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one
SMILESCC1(CS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)NC(=O)NC1O
InChIInChI=1S/C16H22FN3O4S/c1-16(14(21)18-15(22)19-16)10-25(23,24)20-8-6-12(7-9-20)11-2-4-13(17)5-3-11/h2-5,12,14,21H,6-10H2,1H3,(H2,18,19,22)
InChIKeyPRSQGCJMCQIMJM-UHFFFAOYSA-N
MW371.43 g/mol
LogP0.72
Rot. Bonds4

About 4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one

4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one (PubChem CID 142170723) has the molecular formula C16H22FN3O4S and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one
PubChem CID142170723
Molecular FormulaC16H22FN3O4S
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC Name4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one
SMILESCC1(CS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)NC(=O)NC1O
InChIInChI=1S/C16H22FN3O4S/c1-16(14(21)18-15(22)19-16)10-25(23,24)20-8-6-12(7-9-20)11-2-4-13(17)5-3-11/h2-5,12,14,21H,6-10H2,1H3,(H2,18,19,22)
InChIKeyPRSQGCJMCQIMJM-UHFFFAOYSA-N
XLogP0.72
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(4-Fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133513
1-[2-[[(1R,5S)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]ethyl]-3-(2-methoxyethyl)urea
CID 57954661
(5S)-5-({[4-(4-fluorophenyl)piperidin-1-yl}sulfonyl]methyl)-5-methylimidazolidine-2,4-dione
CID 59794371
(5S)-5-[[4-(2-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 59794424
(5S)-5-[[4-(3-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 59794459
(5R)-5-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 66851617
1-[2-[[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]ethyl]-3-(2-methoxyethyl)urea
CID 66939986
4-(2-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine
CID 91309271
4-(4-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine
CID 141057862
4-(3-fluorophenyl)-1-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperidine
CID 141197404
[[4-(4-fluorophenyl)piperidin-1-yl]-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]-oxo-lambda6-sulfanylidene]oxidanium
CID 142170651
3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide
CID 146372904

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one?
The IUPAC name of 4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one (CID 142170723) is 4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one?
The canonical SMILES for 4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one is CC1(CS(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)NC(=O)NC1O.
What is the InChIKey of 4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one?
The InChIKey is PRSQGCJMCQIMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O4S/c1-16(14(21)18-15(22)19-16)10-25(23,24)20-8-6-12(7-9-20)11-2-4-13(17)5-3-11/h2-5,12,14,21H,6-10H2,1H3,(H2,18,19,22).
What are the key properties of 4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one?
4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one has a molecular weight of 371.43 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)piperidin-1-yl]sulfonylmethyl]-5-hydroxy-4-methylimidazolidin-2-one is sourced from PubChem (CID 142170723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).