4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one

C22H28N2O5S — CID 25204781

IUPAC4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
SMILESCC(C)CC(=O)N1CCC(Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1
InChIInChI=1S/C22H28N2O5S/c1-16(2)14-21(25)23-11-8-18(9-12-23)29-19-10-13-24(22(26)15-19)17-4-6-20(7-5-17)30(3,27)28/h4-7,10,13,15-16,18H,8-9,11-12,14H2,1-3H3
InChIKeyASQSHIJPNWMBCE-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.66
Rot. Bonds6

About 4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one

4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one (PubChem CID 25204781) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one.

Molecular Properties

Compound Name4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
PubChem CID25204781
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
SMILESCC(C)CC(=O)N1CCC(Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1
InChIInChI=1S/C22H28N2O5S/c1-16(2)14-21(25)23-11-8-18(9-12-23)29-19-10-13-24(22(26)15-19)17-4-6-20(7-5-17)30(3,27)28/h4-7,10,13,15-16,18H,8-9,11-12,14H2,1-3H3
InChIKeyASQSHIJPNWMBCE-UHFFFAOYSA-N
XLogP2.66
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 25204715
N-cyclopentyl-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxamide
CID 25205058
4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 58458108
cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 143747954
4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 25204037
4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]-2-(4-propan-2-ylphenyl)piperidine-1-carboxylic acid
CID 67415567
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
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]-2-(4-propylphenyl)piperidine-1-carboxylic acid
CID 67414142
2-(4-tert-butylphenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 67414911
2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 67413426

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The IUPAC name of 4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one (CID 25204781) is 4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one.
What is the SMILES notation for 4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The canonical SMILES for 4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one is CC(C)CC(=O)N1CCC(Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1.
What is the InChIKey of 4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The InChIKey is ASQSHIJPNWMBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16(2)14-21(25)23-11-8-18(9-12-23)29-19-10-13-24(22(26)15-19)17-4-6-20(7-5-17)30(3,27)28/h4-7,10,13,15-16,18H,8-9,11-12,14H2,1-3H3.
What are the key properties of 4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one has a molecular weight of 432.54 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one is sourced from PubChem (CID 25204781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).