5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

C17H19F2N3O2 — CID 22248535

IUPAC5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]cc(F)nc1CN1CCC(COc2ccccc2F)CC1
InChIInChI=1S/C17H19F2N3O2/c18-13-3-1-2-4-15(13)24-11-12-5-7-22(8-6-12)10-14-17(23)20-9-16(19)21-14/h1-4,9,12H,5-8,10-11H2,(H,20,23)
InChIKeyHAPOUPRBLYPEPI-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.34
Rot. Bonds5

About 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 22248535) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID22248535
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]cc(F)nc1CN1CCC(COc2ccccc2F)CC1
InChIInChI=1S/C17H19F2N3O2/c18-13-3-1-2-4-15(13)24-11-12-5-7-22(8-6-12)10-14-17(23)20-9-16(19)21-14/h1-4,9,12H,5-8,10-11H2,(H,20,23)
InChIKeyHAPOUPRBLYPEPI-UHFFFAOYSA-N
XLogP2.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 22248535) is 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is O=c1[nH]cc(F)nc1CN1CCC(COc2ccccc2F)CC1.
What is the InChIKey of 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is HAPOUPRBLYPEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c18-13-3-1-2-4-15(13)24-11-12-5-7-22(8-6-12)10-14-17(23)20-9-16(19)21-14/h1-4,9,12H,5-8,10-11H2,(H,20,23).
What are the key properties of 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 335.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 22248535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).