3,3-diethyl-5-methylpiperidine-2,4,6-trione

C10H15NO3 — CID 528906

IUPAC3,3-diethyl-5-methylpiperidine-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)C(C)C1=O
InChIInChI=1S/C10H15NO3/c1-4-10(5-2)7(12)6(3)8(13)11-9(10)14/h6H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyMBJIJGJXNJWDEM-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.65
Rot. Bonds2

About 3,3-diethyl-5-methylpiperidine-2,4,6-trione

3,3-diethyl-5-methylpiperidine-2,4,6-trione (PubChem CID 528906) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3,3-diethyl-5-methylpiperidine-2,4,6-trione.

Molecular Properties

Compound Name3,3-diethyl-5-methylpiperidine-2,4,6-trione
PubChem CID528906
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3,3-diethyl-5-methylpiperidine-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)C(C)C1=O
InChIInChI=1S/C10H15NO3/c1-4-10(5-2)7(12)6(3)8(13)11-9(10)14/h6H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyMBJIJGJXNJWDEM-UHFFFAOYSA-N
XLogP0.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-5-methylpiperidine-2,4,6-trione?
The IUPAC name of 3,3-diethyl-5-methylpiperidine-2,4,6-trione (CID 528906) is 3,3-diethyl-5-methylpiperidine-2,4,6-trione.
What is the SMILES notation for 3,3-diethyl-5-methylpiperidine-2,4,6-trione?
The canonical SMILES for 3,3-diethyl-5-methylpiperidine-2,4,6-trione is CCC1(CC)C(=O)NC(=O)C(C)C1=O.
What is the InChIKey of 3,3-diethyl-5-methylpiperidine-2,4,6-trione?
The InChIKey is MBJIJGJXNJWDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-10(5-2)7(12)6(3)8(13)11-9(10)14/h6H,4-5H2,1-3H3,(H,11,13,14).
What are the key properties of 3,3-diethyl-5-methylpiperidine-2,4,6-trione?
3,3-diethyl-5-methylpiperidine-2,4,6-trione has a molecular weight of 197.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-methylpiperidine-2,4,6-trione is sourced from PubChem (CID 528906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).