3,3,6-triethyl-6-methylpiperazine-2,5-dione

C11H20N2O2 — CID 64884043

IUPAC3,3,6-triethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(CC)(CC)NC1=O
InChIInChI=1S/C11H20N2O2/c1-5-10(4)8(14)13-11(6-2,7-3)9(15)12-10/h5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyZKDKDBDJWPIQLQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.96
Rot. Bonds3

About 3,3,6-triethyl-6-methylpiperazine-2,5-dione

3,3,6-triethyl-6-methylpiperazine-2,5-dione (PubChem CID 64884043) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3,3,6-triethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6-triethyl-6-methylpiperazine-2,5-dione
PubChem CID64884043
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3,3,6-triethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(CC)(CC)NC1=O
InChIInChI=1S/C11H20N2O2/c1-5-10(4)8(14)13-11(6-2,7-3)9(15)12-10/h5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyZKDKDBDJWPIQLQ-UHFFFAOYSA-N
XLogP0.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-5-methyl-2-methylideneimidazolidin-4-one
CID 122660422
3-ethyl-3,4,4-trimethylazetidin-2-one
CID 20715932
3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64883670
3,3-diethyl-6,6-dimethyl-1-propan-2-ylpiperazine-2,5-dione
CID 64886554
3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886456
3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione
CID 106733620
3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 106733602
3,6,6-triethyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64885497
6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
CID 115473937
3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888908
5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride
CID 22163315
3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione
CID 113473201

Frequently Asked Questions

What is the IUPAC name of 3,3,6-triethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 3,3,6-triethyl-6-methylpiperazine-2,5-dione (CID 64884043) is 3,3,6-triethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3,3,6-triethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3,3,6-triethyl-6-methylpiperazine-2,5-dione is CCC1(C)NC(=O)C(CC)(CC)NC1=O.
What is the InChIKey of 3,3,6-triethyl-6-methylpiperazine-2,5-dione?
The InChIKey is ZKDKDBDJWPIQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-10(4)8(14)13-11(6-2,7-3)9(15)12-10/h5-7H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 3,3,6-triethyl-6-methylpiperazine-2,5-dione?
3,3,6-triethyl-6-methylpiperazine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-triethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64884043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).