3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione

C14H24N2O3 — CID 114469771

IUPAC3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione
SMILESC=C(C)COCCN1C(=O)C(C)(CC)NC(=O)C1C
InChIInChI=1S/C14H24N2O3/c1-6-14(5)13(18)16(11(4)12(17)15-14)7-8-19-9-10(2)3/h11H,2,6-9H2,1,3-5H3,(H,15,17)
InChIKeyUJTCIVMIVBFVGK-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds6

About 3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione

3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione (PubChem CID 114469771) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione
PubChem CID114469771
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione
SMILESC=C(C)COCCN1C(=O)C(C)(CC)NC(=O)C1C
InChIInChI=1S/C14H24N2O3/c1-6-14(5)13(18)16(11(4)12(17)15-14)7-8-19-9-10(2)3/h11H,2,6-9H2,1,3-5H3,(H,15,17)
InChIKeyUJTCIVMIVBFVGK-UHFFFAOYSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione (CID 114469771) is 3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione is C=C(C)COCCN1C(=O)C(C)(CC)NC(=O)C1C.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione?
The InChIKey is UJTCIVMIVBFVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-6-14(5)13(18)16(11(4)12(17)15-14)7-8-19-9-10(2)3/h11H,2,6-9H2,1,3-5H3,(H,15,17).
What are the key properties of 3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 114469771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).