3,3-diethyl-5-methylpiperidine-2,4-dione

C10H17NO2 — CID 4162

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IUPAC3,3-diethyl-5-methylpiperidine-2,4-dione
SMILESCCC1(CC)C(=O)NCC(C)C1=O
InChIInChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeySIDLZWOQUZRBRU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.13
Rot. Bonds2

About 3,3-diethyl-5-methylpiperidine-2,4-dione

3,3-diethyl-5-methylpiperidine-2,4-dione (PubChem CID 4162) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3,3-diethyl-5-methylpiperidine-2,4-dione.

Molecular Properties

Compound Name3,3-diethyl-5-methylpiperidine-2,4-dione
PubChem CID4162
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3,3-diethyl-5-methylpiperidine-2,4-dione
SMILESCCC1(CC)C(=O)NCC(C)C1=O
InChIInChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeySIDLZWOQUZRBRU-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.13
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

3,3-Diethyl-2,4-piperidinedione
CID 6465
N-(2-ethylhexyl)-3-oxobutyramide
CID 118003
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
4-Tert-butylpiperidin-2-one
CID 14146873
5-Tert-butylpiperidin-2-one
CID 20793008
3,3-Dimethylpiperidine-2,4-dione
CID 58592978
2-oxo-N-pentylcyclopentane-1-carboxamide
CID 57398075
N-butyl-2-oxopiperidine-3-carboxamide
CID 4141439
3,3-Diethyl-5-methyl-2,4,6-piperidinetrione
CID 528906
(5R)-3,3-diethyl-5-methylpiperidine-2,4-dione
CID 40467203

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-5-methylpiperidine-2,4-dione?
The IUPAC name of 3,3-diethyl-5-methylpiperidine-2,4-dione (CID 4162) is 3,3-diethyl-5-methylpiperidine-2,4-dione.
What is the SMILES notation for 3,3-diethyl-5-methylpiperidine-2,4-dione?
The canonical SMILES for 3,3-diethyl-5-methylpiperidine-2,4-dione is CCC1(CC)C(=O)NCC(C)C1=O.
What is the InChIKey of 3,3-diethyl-5-methylpiperidine-2,4-dione?
The InChIKey is SIDLZWOQUZRBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 3,3-diethyl-5-methylpiperidine-2,4-dione?
3,3-diethyl-5-methylpiperidine-2,4-dione has a molecular weight of 183.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-methylpiperidine-2,4-dione is sourced from PubChem (CID 4162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).