5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one

C17H18ClFN2O4S — CID 58467949

IUPAC5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one
SMILESCS(=O)(=O)c1ccc(-n2cc(Cl)c(OC3CCNCC3)cc2=O)cc1F
InChIInChI=1S/C17H18ClFN2O4S/c1-26(23,24)16-3-2-11(8-14(16)19)21-10-13(18)15(9-17(21)22)25-12-4-6-20-7-5-12/h2-3,8-10,12,20H,4-7H2,1H3
InChIKeyDZRDBLLWWFHYRV-UHFFFAOYSA-N
MW400.86 g/mol
LogP2.16
Rot. Bonds4

About 5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one

5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one (PubChem CID 58467949) has the molecular formula C17H18ClFN2O4S and a molecular weight of 400.86 g/mol. Its IUPAC name is 5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one
PubChem CID58467949
Molecular FormulaC17H18ClFN2O4S
Molecular Weight400.86 g/mol
Exact Mass400.07
IUPAC Name5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one
SMILESCS(=O)(=O)c1ccc(-n2cc(Cl)c(OC3CCNCC3)cc2=O)cc1F
InChIInChI=1S/C17H18ClFN2O4S/c1-26(23,24)16-3-2-11(8-14(16)19)21-10-13(18)15(9-17(21)22)25-12-4-6-20-7-5-12/h2-3,8-10,12,20H,4-7H2,1H3
InChIKeyDZRDBLLWWFHYRV-UHFFFAOYSA-N
XLogP2.16
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one?
The IUPAC name of 5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one (CID 58467949) is 5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one.
What is the SMILES notation for 5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one?
The canonical SMILES for 5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one is CS(=O)(=O)c1ccc(-n2cc(Cl)c(OC3CCNCC3)cc2=O)cc1F.
What is the InChIKey of 5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one?
The InChIKey is DZRDBLLWWFHYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O4S/c1-26(23,24)16-3-2-11(8-14(16)19)21-10-13(18)15(9-17(21)22)25-12-4-6-20-7-5-12/h2-3,8-10,12,20H,4-7H2,1H3.
What are the key properties of 5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one?
5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one has a molecular weight of 400.86 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyridin-2-one is sourced from PubChem (CID 58467949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).