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

C17H22N4O4S — CID 137058270

IUPAC2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(Nc3nc(C)cc(=O)[nH]3)CC2)cc1
InChIInChI=1S/C17H22N4O4S/c1-12-11-16(22)20-17(18-12)19-13-7-9-21(10-8-13)26(23,24)15-5-3-14(25-2)4-6-15/h3-6,11,13H,7-10H2,1-2H3,(H2,18,19,20,22)
InChIKeyLYYBCLAZMFAKNC-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.35
Rot. Bonds5

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

2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137058270) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
PubChem CID137058270
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(Nc3nc(C)cc(=O)[nH]3)CC2)cc1
InChIInChI=1S/C17H22N4O4S/c1-12-11-16(22)20-17(18-12)19-13-7-9-21(10-8-13)26(23,24)15-5-3-14(25-2)4-6-15/h3-6,11,13H,7-10H2,1-2H3,(H2,18,19,20,22)
InChIKeyLYYBCLAZMFAKNC-UHFFFAOYSA-N
XLogP1.35
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 136761470
2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
CID 135719847
2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135719583
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137169212
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
(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
CID 52872809
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-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one (CID 137058270) is 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one is COc1ccc(S(=O)(=O)N2CCC(Nc3nc(C)cc(=O)[nH]3)CC2)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LYYBCLAZMFAKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-12-11-16(22)20-17(18-12)19-13-7-9-21(10-8-13)26(23,24)15-5-3-14(25-2)4-6-15/h3-6,11,13H,7-10H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one?
2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 378.45 g/mol, XLogP of 1.35, 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137058270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).