2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine

C17H20FN3O3S — CID 110256303

IUPAC2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine
SMILESCCS(=O)(=O)N1CCCC(c2nccnc2Oc2ccc(F)cc2)C1
InChIInChI=1S/C17H20FN3O3S/c1-2-25(22,23)21-11-3-4-13(12-21)16-17(20-10-9-19-16)24-15-7-5-14(18)6-8-15/h5-10,13H,2-4,11-12H2,1H3
InChIKeyHYMGGNGKBSESPM-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.94
Rot. Bonds5

About 2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine

2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine (PubChem CID 110256303) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine.

Molecular Properties

Compound Name2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine
PubChem CID110256303
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Name2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine
SMILESCCS(=O)(=O)N1CCCC(c2nccnc2Oc2ccc(F)cc2)C1
InChIInChI=1S/C17H20FN3O3S/c1-2-25(22,23)21-11-3-4-13(12-21)16-17(20-10-9-19-16)24-15-7-5-14(18)6-8-15/h5-10,13H,2-4,11-12H2,1H3
InChIKeyHYMGGNGKBSESPM-UHFFFAOYSA-N
XLogP2.94
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110256284
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide
CID 125006836
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 129454072
N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide
CID 110256263
2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823413
[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 132772994
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 129454307
(1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95823174
1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 129454621
4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 110250142
[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95823451

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine?
The IUPAC name of 2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine (CID 110256303) is 2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine.
What is the SMILES notation for 2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine?
The canonical SMILES for 2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine is CCS(=O)(=O)N1CCCC(c2nccnc2Oc2ccc(F)cc2)C1.
What is the InChIKey of 2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine?
The InChIKey is HYMGGNGKBSESPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-2-25(22,23)21-11-3-4-13(12-21)16-17(20-10-9-19-16)24-15-7-5-14(18)6-8-15/h5-10,13H,2-4,11-12H2,1H3.
What are the key properties of 2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine?
2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine has a molecular weight of 365.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine is sourced from PubChem (CID 110256303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).