2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine

C19H23N3O4S — CID 117054818

IUPAC2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine
SMILESCOc1cncc(OC2CCCN(S(=O)(=O)/C=C/c3ccc(C)cc3)C2)n1
InChIInChI=1S/C19H23N3O4S/c1-15-5-7-16(8-6-15)9-11-27(23,24)22-10-3-4-17(14-22)26-19-13-20-12-18(21-19)25-2/h5-9,11-13,17H,3-4,10,14H2,1-2H3/b11-9+
InChIKeyUUYGKSMLIJFQEF-PKNBQFBNSA-N
MW389.48 g/mol
LogP2.64
Rot. Bonds6

About 2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine

2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine (PubChem CID 117054818) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine
PubChem CID117054818
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine
SMILESCOc1cncc(OC2CCCN(S(=O)(=O)/C=C/c3ccc(C)cc3)C2)n1
InChIInChI=1S/C19H23N3O4S/c1-15-5-7-16(8-6-15)9-11-27(23,24)22-10-3-4-17(14-22)26-19-13-20-12-18(21-19)25-2/h5-9,11-13,17H,3-4,10,14H2,1-2H3/b11-9+
InChIKeyUUYGKSMLIJFQEF-PKNBQFBNSA-N
XLogP2.64
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine
CID 117054779
2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine
CID 129447780
(E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one
CID 91628176
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
CID 90637612
2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
CID 91815893
2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 100615718
[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 100657258
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]methanone
CID 100656424
[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 91628219
1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
CID 100656722
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 90637330
N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 90637690

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine?
The IUPAC name of 2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine (CID 117054818) is 2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine?
The canonical SMILES for 2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine is COc1cncc(OC2CCCN(S(=O)(=O)/C=C/c3ccc(C)cc3)C2)n1.
What is the InChIKey of 2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine?
The InChIKey is UUYGKSMLIJFQEF-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-15-5-7-16(8-6-15)9-11-27(23,24)22-10-3-4-17(14-22)26-19-13-20-12-18(21-19)25-2/h5-9,11-13,17H,3-4,10,14H2,1-2H3/b11-9+.
What are the key properties of 2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine?
2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine has a molecular weight of 389.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine is sourced from PubChem (CID 117054818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).