3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione

C14H24N2O2 — CID 64886055

IUPAC3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione
SMILESC=CCN1C(=O)C(C)(CC)NC(=O)C1CC(C)C
InChIInChI=1S/C14H24N2O2/c1-6-8-16-11(9-10(3)4)12(17)15-14(5,7-2)13(16)18/h6,10-11H,1,7-9H2,2-5H3,(H,15,17)
InChIKeyKRVBHKYZCYTVIG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.71
Rot. Bonds5

About 3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione

3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione (PubChem CID 64886055) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione
PubChem CID64886055
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione
SMILESC=CCN1C(=O)C(C)(CC)NC(=O)C1CC(C)C
InChIInChI=1S/C14H24N2O2/c1-6-8-16-11(9-10(3)4)12(17)15-14(5,7-2)13(16)18/h6,10-11H,1,7-9H2,2-5H3,(H,15,17)
InChIKeyKRVBHKYZCYTVIG-UHFFFAOYSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione with MolForge

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Related Compounds

1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 107898305
3-ethyl-3-methyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64885290
1-[(E)-3-chloroprop-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 107902225
3-ethyl-3-methyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64885480
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046
3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione
CID 64886736
3,6-diethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine-2,5-dione
CID 106432836
1-[(E)-but-2-enyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107898302
3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64885851
3,3-diethyl-6-(2-methylpropyl)-1-propylpiperazine-2,5-dione
CID 64884826
6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione
CID 64872821
3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64884818

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione (CID 64886055) is 3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione is C=CCN1C(=O)C(C)(CC)NC(=O)C1CC(C)C.
What is the InChIKey of 3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione?
The InChIKey is KRVBHKYZCYTVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-8-16-11(9-10(3)4)12(17)15-14(5,7-2)13(16)18/h6,10-11H,1,7-9H2,2-5H3,(H,15,17).
What are the key properties of 3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione?
3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione is sourced from PubChem (CID 64886055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).