6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one

C22H24N4O2 — CID 53317125

IUPAC6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one
SMILESCOc1ccccc1C1CCCN(c2cc(-c3ccncn3)cc(=O)n2C)C1
InChIInChI=1S/C22H24N4O2/c1-25-21(12-17(13-22(25)27)19-9-10-23-15-24-19)26-11-5-6-16(14-26)18-7-3-4-8-20(18)28-2/h3-4,7-10,12-13,15-16H,5-6,11,14H2,1-2H3
InChIKeySYOKYNYBZSTAIK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.23
Rot. Bonds4

About 6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one

6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one (PubChem CID 53317125) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one
PubChem CID53317125
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one
SMILESCOc1ccccc1C1CCCN(c2cc(-c3ccncn3)cc(=O)n2C)C1
InChIInChI=1S/C22H24N4O2/c1-25-21(12-17(13-22(25)27)19-9-10-23-15-24-19)26-11-5-6-16(14-26)18-7-3-4-8-20(18)28-2/h3-4,7-10,12-13,15-16H,5-6,11,14H2,1-2H3
InChIKeySYOKYNYBZSTAIK-UHFFFAOYSA-N
XLogP3.23
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
The IUPAC name of 6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one (CID 53317125) is 6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one.
What is the SMILES notation for 6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
The canonical SMILES for 6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one is COc1ccccc1C1CCCN(c2cc(-c3ccncn3)cc(=O)n2C)C1.
What is the InChIKey of 6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
The InChIKey is SYOKYNYBZSTAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-21(12-17(13-22(25)27)19-9-10-23-15-24-19)26-11-5-6-16(14-26)18-7-3-4-8-20(18)28-2/h3-4,7-10,12-13,15-16H,5-6,11,14H2,1-2H3.
What are the key properties of 6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methoxyphenyl)piperidin-1-yl]-1-methyl-4-pyrimidin-4-ylpyridin-2-one is sourced from PubChem (CID 53317125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).