1,3,3-triethyl-5-methylpiperidine-2,4-dione

C12H21NO2 — CID 91746791

IUPAC1,3,3-triethyl-5-methylpiperidine-2,4-dione
SMILESCCN1CC(C)C(=O)C(CC)(CC)C1=O
InChIInChI=1S/C12H21NO2/c1-5-12(6-2)10(14)9(4)8-13(7-3)11(12)15/h9H,5-8H2,1-4H3
InChIKeyOKJFXRSRXDHONW-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds3

About 1,3,3-triethyl-5-methylpiperidine-2,4-dione

1,3,3-triethyl-5-methylpiperidine-2,4-dione (PubChem CID 91746791) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1,3,3-triethyl-5-methylpiperidine-2,4-dione.

Molecular Properties

Compound Name1,3,3-triethyl-5-methylpiperidine-2,4-dione
PubChem CID91746791
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1,3,3-triethyl-5-methylpiperidine-2,4-dione
SMILESCCN1CC(C)C(=O)C(CC)(CC)C1=O
InChIInChI=1S/C12H21NO2/c1-5-12(6-2)10(14)9(4)8-13(7-3)11(12)15/h9H,5-8H2,1-4H3
InChIKeyOKJFXRSRXDHONW-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-triethyl-5-methylpiperidine-2,4-dione?
The IUPAC name of 1,3,3-triethyl-5-methylpiperidine-2,4-dione (CID 91746791) is 1,3,3-triethyl-5-methylpiperidine-2,4-dione.
What is the SMILES notation for 1,3,3-triethyl-5-methylpiperidine-2,4-dione?
The canonical SMILES for 1,3,3-triethyl-5-methylpiperidine-2,4-dione is CCN1CC(C)C(=O)C(CC)(CC)C1=O.
What is the InChIKey of 1,3,3-triethyl-5-methylpiperidine-2,4-dione?
The InChIKey is OKJFXRSRXDHONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-12(6-2)10(14)9(4)8-13(7-3)11(12)15/h9H,5-8H2,1-4H3.
What are the key properties of 1,3,3-triethyl-5-methylpiperidine-2,4-dione?
1,3,3-triethyl-5-methylpiperidine-2,4-dione has a molecular weight of 211.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-triethyl-5-methylpiperidine-2,4-dione is sourced from PubChem (CID 91746791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).