1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one

C25H30N4O4S — CID 57468407

IUPAC1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
SMILESCCCc1cnc(N2CCC(Oc3ccn(-c4ccc(S(C)(=O)=O)c(C)c4)c(=O)c3)CC2)nc1
InChIInChI=1S/C25H30N4O4S/c1-4-5-19-16-26-25(27-17-19)28-11-8-21(9-12-28)33-22-10-13-29(24(30)15-22)20-6-7-23(18(2)14-20)34(3,31)32/h6-7,10,13-17,21H,4-5,8-9,11-12H2,1-3H3
InChIKeyWIJXZMCROXSPPH-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.34
Rot. Bonds7

About 1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one

1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one (PubChem CID 57468407) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one.

Molecular Properties

Compound Name1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
PubChem CID57468407
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
SMILESCCCc1cnc(N2CCC(Oc3ccn(-c4ccc(S(C)(=O)=O)c(C)c4)c(=O)c3)CC2)nc1
InChIInChI=1S/C25H30N4O4S/c1-4-5-19-16-26-25(27-17-19)28-11-8-21(9-12-28)33-22-10-13-29(24(30)15-22)20-6-7-23(18(2)14-20)34(3,31)32/h6-7,10,13-17,21H,4-5,8-9,11-12H2,1-3H3
InChIKeyWIJXZMCROXSPPH-UHFFFAOYSA-N
XLogP3.34
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
CID 57468392
4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-[4-(3,3,3-trifluoro-2-oxopropyl)phenyl]pyridin-2-one
CID 58458104
4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 25204037
1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
CID 72549726
N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen
CID 161233672
4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one
CID 57468389
5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one
CID 67369617
1-(5-propylpyrimidin-2-yl)piperidine-4-sulfonic acid
CID 151995167
5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one
CID 44621589
2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine
CID 154460847
4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]-2-(4-propylphenyl)piperidine-1-carboxylic acid
CID 67414142
5-chloro-4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-ethylsulfonyl-3-fluorophenyl)pyridin-2-one
CID 58467948

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one?
The IUPAC name of 1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one (CID 57468407) is 1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one.
What is the SMILES notation for 1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one?
The canonical SMILES for 1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one is CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(S(C)(=O)=O)c(C)c4)c(=O)c3)CC2)nc1.
What is the InChIKey of 1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one?
The InChIKey is WIJXZMCROXSPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-4-5-19-16-26-25(27-17-19)28-11-8-21(9-12-28)33-22-10-13-29(24(30)15-22)20-6-7-23(18(2)14-20)34(3,31)32/h6-7,10,13-17,21H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one?
1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one has a molecular weight of 482.61 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one is sourced from PubChem (CID 57468407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).