3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one

C16H22FN3O3S — CID 67469697

IUPAC3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one
SMILESCS(=O)(=O)c1ccc(NC2CCN(C3CCNCC3)C2=O)c(F)c1
InChIInChI=1S/C16H22FN3O3S/c1-24(22,23)12-2-3-14(13(17)10-12)19-15-6-9-20(16(15)21)11-4-7-18-8-5-11/h2-3,10-11,15,18-19H,4-9H2,1H3
InChIKeyAIZDHHQBNJTXDG-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.99
Rot. Bonds4

About 3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one

3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one (PubChem CID 67469697) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one
PubChem CID67469697
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one
SMILESCS(=O)(=O)c1ccc(NC2CCN(C3CCNCC3)C2=O)c(F)c1
InChIInChI=1S/C16H22FN3O3S/c1-24(22,23)12-2-3-14(13(17)10-12)19-15-6-9-20(16(15)21)11-4-7-18-8-5-11/h2-3,10-11,15,18-19H,4-9H2,1H3
InChIKeyAIZDHHQBNJTXDG-UHFFFAOYSA-N
XLogP0.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide
CID 123265312
3-(2,5-difluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpiperidin-2-one
CID 77169657
3-(2-fluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 77426684
3-(2-fluoro-4-methylsulfonylanilino)-1-[1-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 67470544
(3S)-3-(2-fluoro-4-methylsulfonylanilino)-1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-2-one
CID 54670344
5-chloro-2-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 54671180
1-[1-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]-3-(2-fluoro-4-methylsulfonylanilino)pyrrolidin-2-one
CID 67469940
(3S)-1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2-fluoro-4-methylsulfonylanilino)piperidin-2-one
CID 71557642
(3S)-3-(2-fluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one
CID 54670343
5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 54670712
(3S)-3-(2,6-difluoro-4-methylsulfonylphenoxy)-1-piperidin-4-ylpyrrolidin-2-one;hydrochloride
CID 66800457
(3S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)pyrrolidin-2-one
CID 54671365

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one?
The IUPAC name of 3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one (CID 67469697) is 3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one.
What is the SMILES notation for 3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one?
The canonical SMILES for 3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one is CS(=O)(=O)c1ccc(NC2CCN(C3CCNCC3)C2=O)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one?
The InChIKey is AIZDHHQBNJTXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c1-24(22,23)12-2-3-14(13(17)10-12)19-15-6-9-20(16(15)21)11-4-7-18-8-5-11/h2-3,10-11,15,18-19H,4-9H2,1H3.
What are the key properties of 3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one?
3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one has a molecular weight of 355.44 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 67469697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).