6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one

C21H22N4O2 — CID 46871676

IUPAC6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one
SMILESCn1c(N2CCC(O)(c3ccccc3)CC2)cc(-c2ccncn2)cc1=O
InChIInChI=1S/C21H22N4O2/c1-24-19(13-16(14-20(24)26)18-7-10-22-15-23-18)25-11-8-21(27,9-12-25)17-5-3-2-4-6-17/h2-7,10,13-15,27H,8-9,11-12H2,1H3
InChIKeyQSFDPDHOXHFOJS-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.33
Rot. Bonds3

About 6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one

6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one (PubChem CID 46871676) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one
PubChem CID46871676
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one
SMILESCn1c(N2CCC(O)(c3ccccc3)CC2)cc(-c2ccncn2)cc1=O
InChIInChI=1S/C21H22N4O2/c1-24-19(13-16(14-20(24)26)18-7-10-22-15-23-18)25-11-8-21(27,9-12-25)17-5-3-2-4-6-17/h2-7,10,13-15,27H,8-9,11-12H2,1H3
InChIKeyQSFDPDHOXHFOJS-UHFFFAOYSA-N
XLogP2.33
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
The IUPAC name of 6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one (CID 46871676) is 6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one.
What is the SMILES notation for 6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
The canonical SMILES for 6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one is Cn1c(N2CCC(O)(c3ccccc3)CC2)cc(-c2ccncn2)cc1=O.
What is the InChIKey of 6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
The InChIKey is QSFDPDHOXHFOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-19(13-16(14-20(24)26)18-7-10-22-15-23-18)25-11-8-21(27,9-12-25)17-5-3-2-4-6-17/h2-7,10,13-15,27H,8-9,11-12H2,1H3.
What are the key properties of 6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one?
6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one has a molecular weight of 362.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-pyrimidin-4-ylpyridin-2-one is sourced from PubChem (CID 46871676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).