3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one

C17H20FN3O2 — CID 126791326

IUPAC3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(O)(Cc3cccc(F)c3)CC2)c1=O
InChIInChI=1S/C17H20FN3O2/c1-20-10-7-19-15(16(20)22)21-8-5-17(23,6-9-21)12-13-3-2-4-14(18)11-13/h2-4,7,10-11,23H,5-6,8-9,12H2,1H3
InChIKeyJYCWJQTXCQYSHP-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.49
Rot. Bonds3

About 3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one

3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 126791326) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID126791326
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(O)(Cc3cccc(F)c3)CC2)c1=O
InChIInChI=1S/C17H20FN3O2/c1-20-10-7-19-15(16(20)22)21-8-5-17(23,6-9-21)12-13-3-2-4-14(18)11-13/h2-4,7,10-11,23H,5-6,8-9,12H2,1H3
InChIKeyJYCWJQTXCQYSHP-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one (CID 126791326) is 3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(O)(Cc3cccc(F)c3)CC2)c1=O.
What is the InChIKey of 3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is JYCWJQTXCQYSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20-10-7-19-15(16(20)22)21-8-5-17(23,6-9-21)12-13-3-2-4-14(18)11-13/h2-4,7,10-11,23H,5-6,8-9,12H2,1H3.
What are the key properties of 3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 317.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 126791326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).