5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one

C15H21NO4 — CID 136535353

IUPAC5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one
SMILESCc1cc(=O)c(OCC(=O)N2CC(C)CC(C)C2)co1
InChIInChI=1S/C15H21NO4/c1-10-4-11(2)7-16(6-10)15(18)9-20-14-8-19-12(3)5-13(14)17/h5,8,10-11H,4,6-7,9H2,1-3H3
InChIKeyWRVMDCDUGNWNHE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.83
Rot. Bonds3

About 5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one

5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one (PubChem CID 136535353) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one.

Molecular Properties

Compound Name5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one
PubChem CID136535353
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one
SMILESCc1cc(=O)c(OCC(=O)N2CC(C)CC(C)C2)co1
InChIInChI=1S/C15H21NO4/c1-10-4-11(2)7-16(6-10)15(18)9-20-14-8-19-12(3)5-13(14)17/h5,8,10-11H,4,6-7,9H2,1-3H3
InChIKeyWRVMDCDUGNWNHE-UHFFFAOYSA-N
XLogP1.83
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one?
The IUPAC name of 5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one (CID 136535353) is 5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one.
What is the SMILES notation for 5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one?
The canonical SMILES for 5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one is Cc1cc(=O)c(OCC(=O)N2CC(C)CC(C)C2)co1.
What is the InChIKey of 5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one?
The InChIKey is WRVMDCDUGNWNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-4-11(2)7-16(6-10)15(18)9-20-14-8-19-12(3)5-13(14)17/h5,8,10-11H,4,6-7,9H2,1-3H3.
What are the key properties of 5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one?
5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one has a molecular weight of 279.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2-methylpyran-4-one is sourced from PubChem (CID 136535353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).