3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine

C17H20N2O4S — CID 90566188

IUPAC3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
SMILESCOc1cccc(S(=O)(=O)N2CCC(Oc3cccnc3)CC2)c1
InChIInChI=1S/C17H20N2O4S/c1-22-15-4-2-6-17(12-15)24(20,21)19-10-7-14(8-11-19)23-16-5-3-9-18-13-16/h2-6,9,12-14H,7-8,10-11H2,1H3
InChIKeyCGWQFJGNBNKRQE-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.32
Rot. Bonds5

About 3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine

3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine (PubChem CID 90566188) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
PubChem CID90566188
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
SMILESCOc1cccc(S(=O)(=O)N2CCC(Oc3cccnc3)CC2)c1
InChIInChI=1S/C17H20N2O4S/c1-22-15-4-2-6-17(12-15)24(20,21)19-10-7-14(8-11-19)23-16-5-3-9-18-13-16/h2-6,9,12-14H,7-8,10-11H2,1H3
InChIKeyCGWQFJGNBNKRQE-UHFFFAOYSA-N
XLogP2.32
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161670
4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629229
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616602
3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874
8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186224
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 90566562
2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine
CID 110259171
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The IUPAC name of 3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine (CID 90566188) is 3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine.
What is the SMILES notation for 3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The canonical SMILES for 3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine is COc1cccc(S(=O)(=O)N2CCC(Oc3cccnc3)CC2)c1.
What is the InChIKey of 3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The InChIKey is CGWQFJGNBNKRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-22-15-4-2-6-17(12-15)24(20,21)19-10-7-14(8-11-19)23-16-5-3-9-18-13-16/h2-6,9,12-14H,7-8,10-11H2,1H3.
What are the key properties of 3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine?
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine has a molecular weight of 348.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine is sourced from PubChem (CID 90566188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).