5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one

C18H22N2O3 — CID 71866265

IUPAC5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one
SMILESCN(Cc1cc(=O)c(O)co1)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C18H22N2O3/c1-19(12-16-10-17(21)18(22)13-23-16)15-8-5-9-20(11-15)14-6-3-2-4-7-14/h2-4,6-7,10,13,15,22H,5,8-9,11-12H2,1H3
InChIKeyVEJLLLCSQBPBSU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.45
Rot. Bonds4

About 5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one

5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one (PubChem CID 71866265) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one
PubChem CID71866265
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one
SMILESCN(Cc1cc(=O)c(O)co1)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C18H22N2O3/c1-19(12-16-10-17(21)18(22)13-23-16)15-8-5-9-20(11-15)14-6-3-2-4-7-14/h2-4,6-7,10,13,15,22H,5,8-9,11-12H2,1H3
InChIKeyVEJLLLCSQBPBSU-UHFFFAOYSA-N
XLogP2.45
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)acetonitrile
CID 7178484
3-Hydroxy-6-(hydroxymethyl)-2-[(4-phenylpiperazinyl)methyl]pyran-4-one
CID 720194
N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
CID 7178338
N,N-diethyl-2-[(6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]acetamide
CID 7178389
N-methyl-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide
CID 7178516
N-isopropyl-2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)acetamide
CID 7178544
3-[2-[4-(3-Fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-2-methylpyran-4-one
CID 162673412
5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one
CID 130407634
2-(Anilinomethyl)-5-hydroxypyran-4-one
CID 130407637
2-[(3-fluoro-N-methylanilino)methyl]-5-hydroxypyran-4-one
CID 130407896
2-[(4-fluoro-N-methylanilino)methyl]-5-hydroxypyran-4-one
CID 130407903
5-Hydroxy-2-methyl-1-(4-morpholin-4-ylphenyl)pyridin-4-one
CID 130408004

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one (CID 71866265) is 5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one is CN(Cc1cc(=O)c(O)co1)C1CCCN(c2ccccc2)C1.
What is the InChIKey of 5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one?
The InChIKey is VEJLLLCSQBPBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-19(12-16-10-17(21)18(22)13-23-16)15-8-5-9-20(11-15)14-6-3-2-4-7-14/h2-4,6-7,10,13,15,22H,5,8-9,11-12H2,1H3.
What are the key properties of 5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one?
5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one has a molecular weight of 314.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]pyran-4-one is sourced from PubChem (CID 71866265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).