4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid

C24H23FN2O6S — CID 67415221

IUPAC4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3(c4ccccc4F)CCN(C(=O)O)CC3)cc2=O)cc1
InChIInChI=1S/C24H23FN2O6S/c1-34(31,32)19-8-6-17(7-9-19)27-13-10-18(16-22(27)28)33-24(20-4-2-3-5-21(20)25)11-14-26(15-12-24)23(29)30/h2-10,13,16H,11-12,14-15H2,1H3,(H,29,30)
InChIKeyZUZALLYJDMMELL-UHFFFAOYSA-N
MW486.52 g/mol
LogP3.43
Rot. Bonds5

About 4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid

4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid (PubChem CID 67415221) has the molecular formula C24H23FN2O6S and a molecular weight of 486.52 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
PubChem CID67415221
Molecular FormulaC24H23FN2O6S
Molecular Weight486.52 g/mol
Exact Mass486.13
IUPAC Name4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3(c4ccccc4F)CCN(C(=O)O)CC3)cc2=O)cc1
InChIInChI=1S/C24H23FN2O6S/c1-34(31,32)19-8-6-17(7-9-19)27-13-10-18(16-22(27)28)33-24(20-4-2-3-5-21(20)25)11-14-26(15-12-24)23(29)30/h2-10,13,16H,11-12,14-15H2,1H3,(H,29,30)
InChIKeyZUZALLYJDMMELL-UHFFFAOYSA-N
XLogP3.43
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid (CID 67415221) is 4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid is CS(=O)(=O)c1ccc(-n2ccc(OC3(c4ccccc4F)CCN(C(=O)O)CC3)cc2=O)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid?
The InChIKey is ZUZALLYJDMMELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O6S/c1-34(31,32)19-8-6-17(7-9-19)27-13-10-18(16-22(27)28)33-24(20-4-2-3-5-21(20)25)11-14-26(15-12-24)23(29)30/h2-10,13,16H,11-12,14-15H2,1H3,(H,29,30).
What are the key properties of 4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid?
4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid has a molecular weight of 486.52 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 67415221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).