2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one

C18H24N4O4S — CID 135719583

IUPAC2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(Nc3nc(C)c(C)c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C18H24N4O4S/c1-12-13(2)19-18(21-17(12)23)20-14-8-10-22(11-9-14)27(24,25)16-6-4-15(26-3)5-7-16/h4-7,14H,8-11H2,1-3H3,(H2,19,20,21,23)
InChIKeyWIFHCLDYCQMSFZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.66
Rot. Bonds5

About 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one

2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135719583) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135719583
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(Nc3nc(C)c(C)c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C18H24N4O4S/c1-12-13(2)19-18(21-17(12)23)20-14-8-10-22(11-9-14)27(24,25)16-6-4-15(26-3)5-7-16/h4-7,14H,8-11H2,1-3H3,(H2,19,20,21,23)
InChIKeyWIFHCLDYCQMSFZ-UHFFFAOYSA-N
XLogP1.66
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
CID 137058270
4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 136761470
N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine
CID 4521391
6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 26046044
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
CID 135719847
(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
CID 52872809
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
ethyl 4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 1075480

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one (CID 135719583) is 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one is COc1ccc(S(=O)(=O)N2CCC(Nc3nc(C)c(C)c(=O)[nH]3)CC2)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is WIFHCLDYCQMSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-12-13(2)19-18(21-17(12)23)20-14-8-10-22(11-9-14)27(24,25)16-6-4-15(26-3)5-7-16/h4-7,14H,8-11H2,1-3H3,(H2,19,20,21,23).
What are the key properties of 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 392.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135719583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).