3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one

C18H19FN2O3S — CID 22313479

IUPAC3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(N)C2=O)c(F)c1
InChIInChI=1S/C18H19FN2O3S/c1-25(23,24)17-7-3-2-5-13(17)12-8-9-16(14(19)11-12)21-10-4-6-15(20)18(21)22/h2-3,5,7-9,11,15H,4,6,10,20H2,1H3
InChIKeyIVUSRHQOCKYQDZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.35
Rot. Bonds3

About 3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one

3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one (PubChem CID 22313479) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one
PubChem CID22313479
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(N)C2=O)c(F)c1
InChIInChI=1S/C18H19FN2O3S/c1-25(23,24)17-7-3-2-5-13(17)12-8-9-16(14(19)11-12)21-10-4-6-15(20)18(21)22/h2-3,5,7-9,11,15H,4,6,10,20H2,1H3
InChIKeyIVUSRHQOCKYQDZ-UHFFFAOYSA-N
XLogP2.35
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one?
The IUPAC name of 3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one (CID 22313479) is 3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one.
What is the SMILES notation for 3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one?
The canonical SMILES for 3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one is CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(N)C2=O)c(F)c1.
What is the InChIKey of 3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one?
The InChIKey is IVUSRHQOCKYQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-25(23,24)17-7-3-2-5-13(17)12-8-9-16(14(19)11-12)21-10-4-6-15(20)18(21)22/h2-3,5,7-9,11,15H,4,6,10,20H2,1H3.
What are the key properties of 3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one?
3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one has a molecular weight of 362.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one is sourced from PubChem (CID 22313479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).