4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine

C18H23N3O6S — CID 122261639

IUPAC4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(Oc3ccnc(OC)n3)C2)c1
InChIInChI=1S/C18H23N3O6S/c1-24-13-6-7-15(25-2)16(11-13)28(22,23)21-10-4-5-14(12-21)27-17-8-9-19-18(20-17)26-3/h6-9,11,14H,4-5,10,12H2,1-3H3
InChIKeyWZBVIIMPLUXXOK-UHFFFAOYSA-N
MW409.46 g/mol
LogP1.73
Rot. Bonds7

About 4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine

4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine (PubChem CID 122261639) has the molecular formula C18H23N3O6S and a molecular weight of 409.46 g/mol. Its IUPAC name is 4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
PubChem CID122261639
Molecular FormulaC18H23N3O6S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Name4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(Oc3ccnc(OC)n3)C2)c1
InChIInChI=1S/C18H23N3O6S/c1-24-13-6-7-15(25-2)16(11-13)28(22,23)21-10-4-5-14(12-21)27-17-8-9-19-18(20-17)26-3/h6-9,11,14H,4-5,10,12H2,1-3H3
InChIKeyWZBVIIMPLUXXOK-UHFFFAOYSA-N
XLogP1.73
TPSA100.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine 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

2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261630
4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261625
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161732
2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636364
4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261674
4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261682
1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122261669
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62534672
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 122267886
4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261730
5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100836
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147234

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine?
The IUPAC name of 4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine (CID 122261639) is 4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine.
What is the SMILES notation for 4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine?
The canonical SMILES for 4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine is COc1ccc(OC)c(S(=O)(=O)N2CCCC(Oc3ccnc(OC)n3)C2)c1.
What is the InChIKey of 4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine?
The InChIKey is WZBVIIMPLUXXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S/c1-24-13-6-7-15(25-2)16(11-13)28(22,23)21-10-4-5-14(12-21)27-17-8-9-19-18(20-17)26-3/h6-9,11,14H,4-5,10,12H2,1-3H3.
What are the key properties of 4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine?
4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine has a molecular weight of 409.46 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine is sourced from PubChem (CID 122261639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).