3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one

C17H20FN3O2 — CID 129127427

IUPAC3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one
SMILESCc1ccc(F)cc1Cn1c(N2CCCCC2)ncc(O)c1=O
InChIInChI=1S/C17H20FN3O2/c1-12-5-6-14(18)9-13(12)11-21-16(23)15(22)10-19-17(21)20-7-3-2-4-8-20/h5-6,9-10,22H,2-4,7-8,11H2,1H3
InChIKeyODRRVSUVGBICBB-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.44
Rot. Bonds3

About 3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one

3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one (PubChem CID 129127427) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one
PubChem CID129127427
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one
SMILESCc1ccc(F)cc1Cn1c(N2CCCCC2)ncc(O)c1=O
InChIInChI=1S/C17H20FN3O2/c1-12-5-6-14(18)9-13(12)11-21-16(23)15(22)10-19-17(21)20-7-3-2-4-8-20/h5-6,9-10,22H,2-4,7-8,11H2,1H3
InChIKeyODRRVSUVGBICBB-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one (CID 129127427) is 3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one is Cc1ccc(F)cc1Cn1c(N2CCCCC2)ncc(O)c1=O.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one?
The InChIKey is ODRRVSUVGBICBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-12-5-6-14(18)9-13(12)11-21-16(23)15(22)10-19-17(21)20-7-3-2-4-8-20/h5-6,9-10,22H,2-4,7-8,11H2,1H3.
What are the key properties of 3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one?
3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one has a molecular weight of 317.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methylphenyl)methyl]-5-hydroxy-2-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 129127427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).