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

C14H24N2O3 — CID 114469770

IUPAC3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione
SMILESC=C(C)COCCN1C(=O)C(CC)NC(=O)C1CC
InChIInChI=1S/C14H24N2O3/c1-5-11-14(18)16(7-8-19-9-10(3)4)12(6-2)13(17)15-11/h11-12H,3,5-9H2,1-2,4H3,(H,15,17)
InChIKeyDVJPCKNHRIUBBL-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds7

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

3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione (PubChem CID 114469770) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione
PubChem CID114469770
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione
SMILESC=C(C)COCCN1C(=O)C(CC)NC(=O)C1CC
InChIInChI=1S/C14H24N2O3/c1-5-11-14(18)16(7-8-19-9-10(3)4)12(6-2)13(17)15-11/h11-12H,3,5-9H2,1-2,4H3,(H,15,17)
InChIKeyDVJPCKNHRIUBBL-UHFFFAOYSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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'}

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Related Compounds

6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 114469767
6-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 114469768
3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
CID 106458998
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
1-but-3-ynyl-3,6-diethylpiperazine-2,5-dione
CID 64972522
3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 103184655
3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 64903178
3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619332
1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
CID 64964026
6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64902809
6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64873869
3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
CID 64968208

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione (CID 114469770) is 3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione is C=C(C)COCCN1C(=O)C(CC)NC(=O)C1CC.
What is the InChIKey of 3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione?
The InChIKey is DVJPCKNHRIUBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-11-14(18)16(7-8-19-9-10(3)4)12(6-2)13(17)15-11/h11-12H,3,5-9H2,1-2,4H3,(H,15,17).
What are the key properties of 3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione?
3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 114469770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).