phenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate

C24H24N2O6S — CID 25204713

IUPACphenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3CCN(C(=O)Oc4ccccc4)CC3)cc2=O)cc1
InChIInChI=1S/C24H24N2O6S/c1-33(29,30)22-9-7-18(8-10-22)26-16-13-21(17-23(26)27)31-20-11-14-25(15-12-20)24(28)32-19-5-3-2-4-6-19/h2-10,13,16-17,20H,11-12,14-15H2,1H3
InChIKeyUEWNKJSDOXBAMN-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.28
Rot. Bonds5

About phenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate

phenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 25204713) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is phenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID25204713
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Namephenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3CCN(C(=O)Oc4ccccc4)CC3)cc2=O)cc1
InChIInChI=1S/C24H24N2O6S/c1-33(29,30)22-9-7-18(8-10-22)26-16-13-21(17-23(26)27)31-20-11-14-25(15-12-20)24(28)32-19-5-3-2-4-6-19/h2-10,13,16-17,20H,11-12,14-15H2,1H3
InChIKeyUEWNKJSDOXBAMN-UHFFFAOYSA-N
XLogP3.28
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of phenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate (CID 25204713) is phenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate is CS(=O)(=O)c1ccc(-n2ccc(OC3CCN(C(=O)Oc4ccccc4)CC3)cc2=O)cc1.
What is the InChIKey of phenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is UEWNKJSDOXBAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-33(29,30)22-9-7-18(8-10-22)26-16-13-21(17-23(26)27)31-20-11-14-25(15-12-20)24(28)32-19-5-3-2-4-6-19/h2-10,13,16-17,20H,11-12,14-15H2,1H3.
What are the key properties of phenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate?
phenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 468.53 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 25204713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).