3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione

C12H20N2O2 — CID 114619343

IUPAC3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
SMILESC=C(C)CN1CC(=O)NC(CC)(CC)C1=O
InChIInChI=1S/C12H20N2O2/c1-5-12(6-2)11(16)14(7-9(3)4)8-10(15)13-12/h3,5-8H2,1-2,4H3,(H,13,15)
InChIKeyMUCKJNPLKIBNOC-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.08
Rot. Bonds4

About 3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione

3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione (PubChem CID 114619343) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
PubChem CID114619343
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
SMILESC=C(C)CN1CC(=O)NC(CC)(CC)C1=O
InChIInChI=1S/C12H20N2O2/c1-5-12(6-2)11(16)14(7-9(3)4)8-10(15)13-12/h3,5-8H2,1-2,4H3,(H,13,15)
InChIKeyMUCKJNPLKIBNOC-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

1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64882149
1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione
CID 64963911
3,3-diethyl-1-(2-ethylsulfinylethyl)piperazine-2,5-dione
CID 113495315
1-(cyclopentylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64884500
3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64969958
3,3-dimethyl-1-(2-methylprop-2-enyl)-1,4-diazepane-2,5-dione
CID 114619325
3,3-diethyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine-2,5-dione
CID 79551117
1-[(4-bromothiophen-2-yl)methyl]-3,3-diethylpiperazine-2,5-dione
CID 64883318
3,3-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627721
1-(2-methylprop-2-enyl)imidazolidin-2-one
CID 114619407
3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107057025
3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione
CID 64963616

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione (CID 114619343) is 3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione is C=C(C)CN1CC(=O)NC(CC)(CC)C1=O.
What is the InChIKey of 3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione?
The InChIKey is MUCKJNPLKIBNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-12(6-2)11(16)14(7-9(3)4)8-10(15)13-12/h3,5-8H2,1-2,4H3,(H,13,15).
What are the key properties of 3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione?
3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-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-1-(2-methylprop-2-enyl)piperazine-2,5-dione is sourced from PubChem (CID 114619343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).