1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone

C18H20FN3O3 — CID 95822487

IUPAC1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1
InChIInChI=1S/C18H20FN3O3/c1-24-12-16(23)22-9-5-13(6-10-22)17-18(21-8-7-20-17)25-15-4-2-3-14(19)11-15/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3
InChIKeyOZWHAHDLZBKLME-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.76
Rot. Bonds5

About 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone

1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 95822487) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID95822487
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1
InChIInChI=1S/C18H20FN3O3/c1-24-12-16(23)22-9-5-13(6-10-22)17-18(21-8-7-20-17)25-15-4-2-3-14(19)11-15/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3
InChIKeyOZWHAHDLZBKLME-UHFFFAOYSA-N
XLogP2.76
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822508
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 95823494
2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823255
[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822283
[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 110150700
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110149967
2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine
CID 95823060
[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110256734
[(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822353
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
4-[3-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazin-2-yl]oxybenzamide
CID 95822596
(1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822802

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone (CID 95822487) is 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is OZWHAHDLZBKLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-24-12-16(23)22-9-5-13(6-10-22)17-18(21-8-7-20-17)25-15-4-2-3-14(19)11-15/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3.
What are the key properties of 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 345.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 95822487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).