3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one

C13H23NO3 — CID 103020623

IUPAC3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one
SMILESCCC1CN(C(=O)CC(C)(C)OC)CCC1=O
InChIInChI=1S/C13H23NO3/c1-5-10-9-14(7-6-11(10)15)12(16)8-13(2,3)17-4/h10H,5-9H2,1-4H3
InChIKeyBTZPSZPJTNYKKQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.63
Rot. Bonds4

About 3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one

3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one (PubChem CID 103020623) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one
PubChem CID103020623
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one
SMILESCCC1CN(C(=O)CC(C)(C)OC)CCC1=O
InChIInChI=1S/C13H23NO3/c1-5-10-9-14(7-6-11(10)15)12(16)8-13(2,3)17-4/h10H,5-9H2,1-4H3
InChIKeyBTZPSZPJTNYKKQ-UHFFFAOYSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one (CID 103020623) is 3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one is CCC1CN(C(=O)CC(C)(C)OC)CCC1=O.
What is the InChIKey of 3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one?
The InChIKey is BTZPSZPJTNYKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-10-9-14(7-6-11(10)15)12(16)8-13(2,3)17-4/h10H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one?
3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one has a molecular weight of 241.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methoxy-3-methylbutanoyl)piperidin-4-one is sourced from PubChem (CID 103020623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).