3,3-diethylpiperidine-2,4-dione

C9H15NO2 — CID 6465

💊View drug profile → piperidione
IUPAC3,3-diethylpiperidine-2,4-dione
SMILESCCC1(CC)C(=O)CCNC1=O
InChIInChI=1S/C9H15NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h3-6H2,1-2H3,(H,10,12)
InChIKeyRGEVWUKXWFOAID-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.88
Rot. Bonds2

About 3,3-diethylpiperidine-2,4-dione

3,3-diethylpiperidine-2,4-dione (PubChem CID 6465) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3,3-diethylpiperidine-2,4-dione.

Molecular Properties

Compound Name3,3-diethylpiperidine-2,4-dione
PubChem CID6465
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3,3-diethylpiperidine-2,4-dione
SMILESCCC1(CC)C(=O)CCNC1=O
InChIInChI=1S/C9H15NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h3-6H2,1-2H3,(H,10,12)
InChIKeyRGEVWUKXWFOAID-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyprylon
CID 4162
2,8-Diazaspiro[5.5]undecane-1,7-dione
CID 373773
5,5-Dimethylpiperidin-2-one
CID 10479660
3,3-Dimethylpiperidin-2-one
CID 11240485
4,4-Dimethylpiperidin-2-one
CID 12202097
3,3-Diethyl-2-piperidinone
CID 10329495
3-Ethyl-3-methylpiperidin-2-one
CID 10773081
N-Butyl-2,2,4-trimethyl-3-oxopentanimidic acid
CID 212510
3,3-Dimethylpiperidine-2,4-dione
CID 58592978
(5R)-3,3-diethyl-5-methylpiperidine-2,4-dione
CID 40467203
N,N,3-triethylpiperidine-3-carboxamide hydrochloride
CID 138987554
6-Azaspiro[3.5]nonane-2,5-dione
CID 165588365

Frequently Asked Questions

What is the IUPAC name of 3,3-diethylpiperidine-2,4-dione?
The IUPAC name of 3,3-diethylpiperidine-2,4-dione (CID 6465) is 3,3-diethylpiperidine-2,4-dione.
What is the SMILES notation for 3,3-diethylpiperidine-2,4-dione?
The canonical SMILES for 3,3-diethylpiperidine-2,4-dione is CCC1(CC)C(=O)CCNC1=O.
What is the InChIKey of 3,3-diethylpiperidine-2,4-dione?
The InChIKey is RGEVWUKXWFOAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h3-6H2,1-2H3,(H,10,12).
What are the key properties of 3,3-diethylpiperidine-2,4-dione?
3,3-diethylpiperidine-2,4-dione has a molecular weight of 169.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylpiperidine-2,4-dione is sourced from PubChem (CID 6465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).