1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide

C18H22N4O5S — CID 11957239

IUPAC1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1
InChIInChI=1S/C18H22N4O5S/c1-11-3-5-14(6-4-11)20-16(23)13-7-9-22(10-8-13)28(26,27)15-12(2)19-18(25)21-17(15)24/h3-6,13H,7-10H2,1-2H3,(H,20,23)(H2,19,21,24,25)
InChIKeyQMOBHQMCEYCCFU-UHFFFAOYSA-N
MW406.46 g/mol
LogP0.72
Rot. Bonds4

About 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide

1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 11957239) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide
PubChem CID11957239
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC Name1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1
InChIInChI=1S/C18H22N4O5S/c1-11-3-5-14(6-4-11)20-16(23)13-7-9-22(10-8-13)28(26,27)15-12(2)19-18(25)21-17(15)24/h3-6,13H,7-10H2,1-2H3,(H,20,23)(H2,19,21,24,25)
InChIKeyQMOBHQMCEYCCFU-UHFFFAOYSA-N
XLogP0.72
TPSA132.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 4843067
5-[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)sulfonyl]-6-methylpyrimidine-2,4(1H,3H)-dione
CID 3242415
5-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-hydroxy-6-methylpyrimidin-4(3H)-one
CID 4071560
N-(4-ethylphenyl)-1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide
CID 6621534
2-[N-(3,5-Dimethylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 16008218
1-[4-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]piperidine-4-carboxamide
CID 89701093
N-allyl-6-methyl-2,4-dioxo-N-phenyl-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 4569326
1-Methanesulfonyl-piperidine-4-carboxylic acid (4-isopropyl-phenyl)-amide
CID 649629
N-(4-butylphenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 2956776
5-[(3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl}piperidin-1-yl)sulfonyl]-6-methylpyrimidine-2,4(1H,3H)-dione
CID 3243195
Methyl 2-[N-(4-methylphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]propanoate
CID 4110619
Methyl 2-{N-[4-(propan-2-YL)phenyl]6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido}acetate
CID 4121127

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide (CID 11957239) is 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1.
What is the InChIKey of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is QMOBHQMCEYCCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-11-3-5-14(6-4-11)20-16(23)13-7-9-22(10-8-13)28(26,27)15-12(2)19-18(25)21-17(15)24/h3-6,13H,7-10H2,1-2H3,(H,20,23)(H2,19,21,24,25).
What are the key properties of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 11957239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).