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

C11H19NO3 — CID 103020542

IUPAC1-(3-methoxy-3-methylbutanoyl)piperidin-4-one
SMILESCOC(C)(C)CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-11(2,15-3)8-10(14)12-6-4-9(13)5-7-12/h4-8H2,1-3H3
InChIKeyODGGFXHJTOPSPT-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.99
Rot. Bonds3

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

1-(3-methoxy-3-methylbutanoyl)piperidin-4-one (PubChem CID 103020542) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutanoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutanoyl)piperidin-4-one
PubChem CID103020542
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(3-methoxy-3-methylbutanoyl)piperidin-4-one
SMILESCOC(C)(C)CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-11(2,15-3)8-10(14)12-6-4-9(13)5-7-12/h4-8H2,1-3H3
InChIKeyODGGFXHJTOPSPT-UHFFFAOYSA-N
XLogP0.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutanoyl)piperidin-4-one?
The IUPAC name of 1-(3-methoxy-3-methylbutanoyl)piperidin-4-one (CID 103020542) is 1-(3-methoxy-3-methylbutanoyl)piperidin-4-one.
What is the SMILES notation for 1-(3-methoxy-3-methylbutanoyl)piperidin-4-one?
The canonical SMILES for 1-(3-methoxy-3-methylbutanoyl)piperidin-4-one is COC(C)(C)CC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-(3-methoxy-3-methylbutanoyl)piperidin-4-one?
The InChIKey is ODGGFXHJTOPSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,15-3)8-10(14)12-6-4-9(13)5-7-12/h4-8H2,1-3H3.
What are the key properties of 1-(3-methoxy-3-methylbutanoyl)piperidin-4-one?
1-(3-methoxy-3-methylbutanoyl)piperidin-4-one has a molecular weight of 213.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutanoyl)piperidin-4-one is sourced from PubChem (CID 103020542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).