4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine

C18H23N3O4S — CID 122261682

IUPAC4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC(Oc3ccnc(OC)n3)C2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-14-6-8-16(9-7-14)26(22,23)21-12-4-5-15(13-21)25-17-10-11-19-18(20-17)24-2/h6-11,15H,3-5,12-13H2,1-2H3
InChIKeyDPFRPMDZGBVRMG-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.28
Rot. Bonds6

About 4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine

4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine (PubChem CID 122261682) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
PubChem CID122261682
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC(Oc3ccnc(OC)n3)C2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-14-6-8-16(9-7-14)26(22,23)21-12-4-5-15(13-21)25-17-10-11-19-18(20-17)24-2/h6-11,15H,3-5,12-13H2,1-2H3
InChIKeyDPFRPMDZGBVRMG-UHFFFAOYSA-N
XLogP2.28
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122261669
2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161690
4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261674
4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261730
4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261639
5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259645
2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261332
methyl N-[4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122261153
2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 121161744
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine?
The IUPAC name of 4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine (CID 122261682) is 4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine.
What is the SMILES notation for 4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine?
The canonical SMILES for 4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine is CCc1ccc(S(=O)(=O)N2CCCC(Oc3ccnc(OC)n3)C2)cc1.
What is the InChIKey of 4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine?
The InChIKey is DPFRPMDZGBVRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-14-6-8-16(9-7-14)26(22,23)21-12-4-5-15(13-21)25-17-10-11-19-18(20-17)24-2/h6-11,15H,3-5,12-13H2,1-2H3.
What are the key properties of 4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine?
4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine has a molecular weight of 377.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine is sourced from PubChem (CID 122261682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).