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

C16H18FN3O3S — CID 110256284

IUPAC2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine
SMILESCS(=O)(=O)N1CCCC(c2nccnc2Oc2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3O3S/c1-24(21,22)20-10-2-3-12(11-20)15-16(19-9-8-18-15)23-14-6-4-13(17)5-7-14/h4-9,12H,2-3,10-11H2,1H3
InChIKeyTWXNUSVJLNREPA-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.55
Rot. Bonds4

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

2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine (PubChem CID 110256284) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine
PubChem CID110256284
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine
SMILESCS(=O)(=O)N1CCCC(c2nccnc2Oc2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3O3S/c1-24(21,22)20-10-2-3-12(11-20)15-16(19-9-8-18-15)23-14-6-4-13(17)5-7-14/h4-9,12H,2-3,10-11H2,1H3
InChIKeyTWXNUSVJLNREPA-UHFFFAOYSA-N
XLogP2.55
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine
CID 110256303
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
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
2-(4-fluorophenyl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 95817962
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 129454072
2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124981007
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125001800
2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125024996
2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
CID 175657942
[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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine?
The IUPAC name of 2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine (CID 110256284) is 2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine.
What is the SMILES notation for 2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine?
The canonical SMILES for 2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine is CS(=O)(=O)N1CCCC(c2nccnc2Oc2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine?
The InChIKey is TWXNUSVJLNREPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-24(21,22)20-10-2-3-12(11-20)15-16(19-9-8-18-15)23-14-6-4-13(17)5-7-14/h4-9,12H,2-3,10-11H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine?
2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine has a molecular weight of 351.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine is sourced from PubChem (CID 110256284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).