cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate

C24H26N2O6S — CID 143747954

IUPACcyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3CCN(C(=O)OC4=CCCC=C4)CC3)cc2=O)cc1
InChIInChI=1S/C24H26N2O6S/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/h3,5-10,13,16-17,20H,2,4,11-12,14-15H2,1H3
InChIKeyBCCHAOWVDKTPBX-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.45
Rot. Bonds5

About cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate

cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 143747954) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID143747954
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Namecyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3CCN(C(=O)OC4=CCCC=C4)CC3)cc2=O)cc1
InChIInChI=1S/C24H26N2O6S/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/h3,5-10,13,16-17,20H,2,4,11-12,14-15H2,1H3
InChIKeyBCCHAOWVDKTPBX-UHFFFAOYSA-N
XLogP3.45
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopentyl-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxamide
CID 25205058
4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 25204715
4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 25204781
4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 58458108
tert-butyl 4-[1-(4-methylsulfonylphenyl)-2-oxopyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57468354
4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 25204037
4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 67367085
4-[[1-(4-methoxyphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 57468346
2-(4-tert-butylphenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 67414911
4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]-2-(4-propan-2-ylphenyl)piperidine-1-carboxylic acid
CID 67415567
2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 67413426
4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide
CID 71166636

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate (CID 143747954) is cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate is CS(=O)(=O)c1ccc(-n2ccc(OC3CCN(C(=O)OC4=CCCC=C4)CC3)cc2=O)cc1.
What is the InChIKey of cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is BCCHAOWVDKTPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/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/h3,5-10,13,16-17,20H,2,4,11-12,14-15H2,1H3.
What are the key properties of cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate?
cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 470.55 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 143747954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).