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

C9H16N2O2 — CID 64883670

IUPAC3,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(CC)NC1=O
InChIInChI=1S/C9H16N2O2/c1-4-6-7(12)11-9(3,5-2)8(13)10-6/h6H,4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJXQPBGIWAFITHC-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.18
Rot. Bonds2

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

3,6-diethyl-3-methylpiperazine-2,5-dione (PubChem CID 64883670) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3,6-diethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-3-methylpiperazine-2,5-dione
PubChem CID64883670
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(CC)NC1=O
InChIInChI=1S/C9H16N2O2/c1-4-6-7(12)11-9(3,5-2)8(13)10-6/h6H,4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJXQPBGIWAFITHC-UHFFFAOYSA-N
XLogP0.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione
CID 64883494
(3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 176953118
5-ethyl-5-methyl-2-methylideneimidazolidin-4-one
CID 122660422
3,3,6-triethyl-6-methylpiperazine-2,5-dione
CID 64884043
3,6-diethyl-3-methyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970369
3,3,5-triethylpiperidine-2,4,6-trione
CID 121218732
3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
CID 82737026
3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 82156858
3-ethyl-5,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 84621637
1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64969396
1-(cyclobutylmethyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64960376
4-[(3S,6R,9S,12R)-3-benzyl-6-ethyl-6-methyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]butanal
CID 58726465

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-3-methylpiperazine-2,5-dione (CID 64883670) is 3,6-diethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-3-methylpiperazine-2,5-dione is CCC1NC(=O)C(C)(CC)NC1=O.
What is the InChIKey of 3,6-diethyl-3-methylpiperazine-2,5-dione?
The InChIKey is JXQPBGIWAFITHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-6-7(12)11-9(3,5-2)8(13)10-6/h6H,4-5H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 3,6-diethyl-3-methylpiperazine-2,5-dione?
3,6-diethyl-3-methylpiperazine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64883670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).