5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one

C13H20N2O3 — CID 113283060

IUPAC5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one
SMILESCNC1(C)CCN(Cc2cc(=O)c(O)co2)CC1
InChIInChI=1S/C13H20N2O3/c1-13(14-2)3-5-15(6-4-13)8-10-7-11(16)12(17)9-18-10/h7,9,14,17H,3-6,8H2,1-2H3
InChIKeyMKXCINSISCSMHI-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.92
Rot. Bonds3

About 5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one

5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one (PubChem CID 113283060) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one
PubChem CID113283060
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one
SMILESCNC1(C)CCN(Cc2cc(=O)c(O)co2)CC1
InChIInChI=1S/C13H20N2O3/c1-13(14-2)3-5-15(6-4-13)8-10-7-11(16)12(17)9-18-10/h7,9,14,17H,3-6,8H2,1-2H3
InChIKeyMKXCINSISCSMHI-UHFFFAOYSA-N
XLogP0.92
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 89080857
N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 89080903
2-[(4-Aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one
CID 43556537
5-Hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one
CID 43607675
5-Hydroxy-2-[(3-piperidin-1-ylpropylamino)methyl]pyran-4-one
CID 49788915
2-[[Ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one
CID 54923446
5-Hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one
CID 54923689
5-Hydroxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one
CID 55086059
5-Hydroxy-2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]pyran-4-one
CID 55169048
2-[[Ethyl(piperidin-3-yl)amino]methyl]-5-hydroxypyran-4-one
CID 55246263
N-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 60331195
5-Hydroxy-2-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyran-4-one
CID 60978556

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one (CID 113283060) is 5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one is CNC1(C)CCN(Cc2cc(=O)c(O)co2)CC1.
What is the InChIKey of 5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one?
The InChIKey is MKXCINSISCSMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(14-2)3-5-15(6-4-13)8-10-7-11(16)12(17)9-18-10/h7,9,14,17H,3-6,8H2,1-2H3.
What are the key properties of 5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one?
5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one has a molecular weight of 252.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 113283060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).