2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone

C10H19NO3 — CID 107395939

IUPAC2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCOCC(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C10H19NO3/c1-10(14-3)5-4-6-11(8-10)9(12)7-13-2/h4-8H2,1-3H3
InChIKeyGOVMXWNBWDDVLA-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds3

About 2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone

2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 107395939) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
PubChem CID107395939
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCOCC(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C10H19NO3/c1-10(14-3)5-4-6-11(8-10)9(12)7-13-2/h4-8H2,1-3H3
InChIKeyGOVMXWNBWDDVLA-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone (CID 107395939) is 2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone is COCC(=O)N1CCCC(C)(OC)C1.
What is the InChIKey of 2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is GOVMXWNBWDDVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(14-3)5-4-6-11(8-10)9(12)7-13-2/h4-8H2,1-3H3.
What are the key properties of 2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 201.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 107395939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).