3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione

C12H20N2O2 — CID 64884818

IUPAC3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione
SMILESC=CCN1C(=O)C(CC)(CC)NC(=O)C1C
InChIInChI=1S/C12H20N2O2/c1-5-8-14-9(4)10(15)13-12(6-2,7-3)11(14)16/h5,9H,1,6-8H2,2-4H3,(H,13,15)
InChIKeySMWMYTBYFMUKDE-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.08
Rot. Bonds4

About 3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione

3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione (PubChem CID 64884818) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione
PubChem CID64884818
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione
SMILESC=CCN1C(=O)C(CC)(CC)NC(=O)C1C
InChIInChI=1S/C12H20N2O2/c1-5-8-14-9(4)10(15)13-12(6-2,7-3)11(14)16/h5,9H,1,6-8H2,2-4H3,(H,13,15)
InChIKeySMWMYTBYFMUKDE-UHFFFAOYSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione
CID 64886736
3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione
CID 64885216
3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione
CID 113464217
3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64884815
3,3-diethyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459079
3,3-diethyl-6-methyl-1-[(4-methylphenyl)methyl]piperazine-2,5-dione
CID 64887112
3,3-diethyl-6-methyl-1-pent-4-ynylpiperazine-2,5-dione
CID 114160170
3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64887687
1-cyclopropyl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64958476
3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione
CID 64886055
1-but-3-yn-2-yl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 114420520
1-[(E)-but-2-enyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107898302

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione (CID 64884818) is 3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione is C=CCN1C(=O)C(CC)(CC)NC(=O)C1C.
What is the InChIKey of 3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione?
The InChIKey is SMWMYTBYFMUKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-8-14-9(4)10(15)13-12(6-2,7-3)11(14)16/h5,9H,1,6-8H2,2-4H3,(H,13,15).
What are the key properties of 3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione?
3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione is sourced from PubChem (CID 64884818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).