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

C18H24N4O4S — CID 136761470

IUPAC4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(NC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C18H24N4O4S/c1-3-13-12-17(23)21-18(19-13)20-14-8-10-22(11-9-14)27(24,25)16-6-4-15(26-2)5-7-16/h4-7,12,14H,3,8-11H2,1-2H3,(H2,19,20,21,23)
InChIKeyXKORDQMNHUBDHF-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.61
Rot. Bonds6

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

4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136761470) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one
PubChem CID136761470
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(NC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C18H24N4O4S/c1-3-13-12-17(23)21-18(19-13)20-14-8-10-22(11-9-14)27(24,25)16-6-4-15(26-2)5-7-16/h4-7,12,14H,3,8-11H2,1-2H3,(H2,19,20,21,23)
InChIKeyXKORDQMNHUBDHF-UHFFFAOYSA-N
XLogP1.61
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.61
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
2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135719583
2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
CID 135719847
N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine
CID 4521391
1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
CID 87024962
6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 26046044
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
ethyl 4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 1075480
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137169212

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one (CID 136761470) is 4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(NC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1.
What is the InChIKey of 4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is XKORDQMNHUBDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-3-13-12-17(23)21-18(19-13)20-14-8-10-22(11-9-14)27(24,25)16-6-4-15(26-2)5-7-16/h4-7,12,14H,3,8-11H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one?
4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 392.48 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136761470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).