N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide

C18H22N4O6S — CID 42654998

IUPACN-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C18H22N4O6S/c1-11-15(17(24)21-18(25)19-11)29(26,27)22-9-5-6-12(10-22)16(23)20-13-7-3-4-8-14(13)28-2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,20,23)(H2,19,21,24,25)
InChIKeyKBPOLVDUPHDMKL-UHFFFAOYSA-N
MW422.46 g/mol
LogP0.42
Rot. Bonds5

About N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide

N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 42654998) has the molecular formula C18H22N4O6S and a molecular weight of 422.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID42654998
Molecular FormulaC18H22N4O6S
Molecular Weight422.46 g/mol
Exact Mass422.13
IUPAC NameN-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C18H22N4O6S/c1-11-15(17(24)21-18(25)19-11)29(26,27)22-9-5-6-12(10-22)16(23)20-13-7-3-4-8-14(13)28-2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,20,23)(H2,19,21,24,25)
InChIKeyKBPOLVDUPHDMKL-UHFFFAOYSA-N
XLogP0.42
TPSA141.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[2-(2-methoxyphenyl)ethyl]-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 39035939
(3R)-N-(4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 40774571
(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 30534952
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 22430686
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 1265158
(3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 39033321
(3S)-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94243936
(3S)-N-(3,5-dichlorophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 39035664
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 1456855
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 3245157
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid
CID 4290756

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide (CID 42654998) is N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide is COc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is KBPOLVDUPHDMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6S/c1-11-15(17(24)21-18(25)19-11)29(26,27)22-9-5-6-12(10-22)16(23)20-13-7-3-4-8-14(13)28-2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,20,23)(H2,19,21,24,25).
What are the key properties of N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?
N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 42654998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).