2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one

C14H19NO4 — CID 82064543

IUPAC2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one
SMILESCc1occc(=O)c1OCCC(=O)N1CCCCC1
InChIInChI=1S/C14H19NO4/c1-11-14(12(16)5-9-18-11)19-10-6-13(17)15-7-3-2-4-8-15/h5,9H,2-4,6-8,10H2,1H3
InChIKeySTKIWLIXFCIGMV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.73
Rot. Bonds4

About 2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one

2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one (PubChem CID 82064543) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one.

Molecular Properties

Compound Name2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one
PubChem CID82064543
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one
SMILESCc1occc(=O)c1OCCC(=O)N1CCCCC1
InChIInChI=1S/C14H19NO4/c1-11-14(12(16)5-9-18-11)19-10-6-13(17)15-7-3-2-4-8-15/h5,9H,2-4,6-8,10H2,1H3
InChIKeySTKIWLIXFCIGMV-UHFFFAOYSA-N
XLogP1.73
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-3-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]propan-1-one
CID 134065201
1-(azocan-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one
CID 55575535
3-(4-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60751054
3-[3-(4-methoxyphenoxy)propoxy]-2-methylpyran-4-one
CID 82064643
3-[2-(4-tert-butylphenoxy)ethoxy]-2-methylpyran-4-one
CID 82064629
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
(2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenoxy)propanoate
CID 2641999
4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 19173677
3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one
CID 141195466
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
CID 82064552
3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60634826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one?
The IUPAC name of 2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one (CID 82064543) is 2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one.
What is the SMILES notation for 2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one?
The canonical SMILES for 2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one is Cc1occc(=O)c1OCCC(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one?
The InChIKey is STKIWLIXFCIGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-11-14(12(16)5-9-18-11)19-10-6-13(17)15-7-3-2-4-8-15/h5,9H,2-4,6-8,10H2,1H3.
What are the key properties of 2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one?
2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one has a molecular weight of 265.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)pyran-4-one is sourced from PubChem (CID 82064543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).