1-(2-ethoxyacetyl)-3-methylpiperidin-4-one

C10H17NO3 — CID 114499683

IUPAC1-(2-ethoxyacetyl)-3-methylpiperidin-4-one
SMILESCCOCC(=O)N1CCC(=O)C(C)C1
InChIInChI=1S/C10H17NO3/c1-3-14-7-10(13)11-5-4-9(12)8(2)6-11/h8H,3-7H2,1-2H3
InChIKeyMMZDWRVLNBBDRX-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.46
Rot. Bonds3

About 1-(2-ethoxyacetyl)-3-methylpiperidin-4-one

1-(2-ethoxyacetyl)-3-methylpiperidin-4-one (PubChem CID 114499683) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(2-ethoxyacetyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(2-ethoxyacetyl)-3-methylpiperidin-4-one
PubChem CID114499683
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(2-ethoxyacetyl)-3-methylpiperidin-4-one
SMILESCCOCC(=O)N1CCC(=O)C(C)C1
InChIInChI=1S/C10H17NO3/c1-3-14-7-10(13)11-5-4-9(12)8(2)6-11/h8H,3-7H2,1-2H3
InChIKeyMMZDWRVLNBBDRX-UHFFFAOYSA-N
XLogP0.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyacetyl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(2-ethoxyacetyl)-3-methylpiperidin-4-one (CID 114499683) is 1-(2-ethoxyacetyl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(2-ethoxyacetyl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(2-ethoxyacetyl)-3-methylpiperidin-4-one is CCOCC(=O)N1CCC(=O)C(C)C1.
What is the InChIKey of 1-(2-ethoxyacetyl)-3-methylpiperidin-4-one?
The InChIKey is MMZDWRVLNBBDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-14-7-10(13)11-5-4-9(12)8(2)6-11/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2-ethoxyacetyl)-3-methylpiperidin-4-one?
1-(2-ethoxyacetyl)-3-methylpiperidin-4-one has a molecular weight of 199.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyacetyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 114499683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).