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

C18H22N4O4S — CID 135719847

IUPAC2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(Nc3nc(C)cc(=O)[nH]3)CC2)cc1
InChIInChI=1S/C18H22N4O4S/c1-12-11-17(24)21-18(19-12)20-15-7-9-22(10-8-15)27(25,26)16-5-3-14(4-6-16)13(2)23/h3-6,11,15H,7-10H2,1-2H3,(H2,19,20,21,24)
InChIKeyKNGKISLJZKBMLQ-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.55
Rot. Bonds5

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

2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135719847) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135719847
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(Nc3nc(C)cc(=O)[nH]3)CC2)cc1
InChIInChI=1S/C18H22N4O4S/c1-12-11-17(24)21-18(19-12)20-15-7-9-22(10-8-15)27(25,26)16-5-3-14(4-6-16)13(2)23/h3-6,11,15H,7-10H2,1-2H3,(H2,19,20,21,24)
InChIKeyKNGKISLJZKBMLQ-UHFFFAOYSA-N
XLogP1.55
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.55
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
2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135719583
1-[4-[(3S)-3-anilinopyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 94808929
1-(4-bromophenyl)sulfonyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]piperidine-4-carboxamide
CID 136876982
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
1-[4-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122260596
N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 171336337
1-[4-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]phenyl]ethanone
CID 11417406
1-(4-acetylphenyl)sulfonyl-N-(5-cyclopentyl-1H-pyrazol-3-yl)piperidine-4-carboxamide
CID 154861241
N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
CID 26120234

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one (CID 135719847) is 2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one is CC(=O)c1ccc(S(=O)(=O)N2CCC(Nc3nc(C)cc(=O)[nH]3)CC2)cc1.
What is the InChIKey of 2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is KNGKISLJZKBMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-12-11-17(24)21-18(19-12)20-15-7-9-22(10-8-15)27(25,26)16-5-3-14(4-6-16)13(2)23/h3-6,11,15H,7-10H2,1-2H3,(H2,19,20,21,24).
What are the key properties of 2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one?
2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 390.47 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135719847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).