3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile

C14H16N6O3S — CID 91628103

IUPAC3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCn1cnc(S(=O)(=O)N2CCCC(Oc3nccnc3C#N)C2)c1
InChIInChI=1S/C14H16N6O3S/c1-19-9-13(18-10-19)24(21,22)20-6-2-3-11(8-20)23-14-12(7-15)16-4-5-17-14/h4-5,9-11H,2-3,6,8H2,1H3
InChIKeyJQIZCOQIFYOVQU-UHFFFAOYSA-N
MW348.39 g/mol
LogP0.31
Rot. Bonds4

About 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 91628103) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID91628103
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC Name3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCn1cnc(S(=O)(=O)N2CCCC(Oc3nccnc3C#N)C2)c1
InChIInChI=1S/C14H16N6O3S/c1-19-9-13(18-10-19)24(21,22)20-6-2-3-11(8-20)23-14-12(7-15)16-4-5-17-14/h4-5,9-11H,2-3,6,8H2,1H3
InChIKeyJQIZCOQIFYOVQU-UHFFFAOYSA-N
XLogP0.31
TPSA114.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100653433
3-[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100756359
3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile
CID 91628098
3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100653359
3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100652937
3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 91626857
3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine
CID 100640808
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 91626871
3-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628106
3-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636771
3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100756332
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile (CID 91628103) is 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile is Cn1cnc(S(=O)(=O)N2CCCC(Oc3nccnc3C#N)C2)c1.
What is the InChIKey of 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is JQIZCOQIFYOVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c1-19-9-13(18-10-19)24(21,22)20-6-2-3-11(8-20)23-14-12(7-15)16-4-5-17-14/h4-5,9-11H,2-3,6,8H2,1H3.
What are the key properties of 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 348.39 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91628103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).