3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione

C11H20N2O3 — CID 112591354

IUPAC3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione
SMILESCC1NCC(=O)N(CCOC(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O3/c1-8-10(15)13(9(14)7-12-8)5-6-16-11(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeySSZRZIJXOSPNAW-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds3

About 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione

3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione (PubChem CID 112591354) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione
PubChem CID112591354
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione
SMILESCC1NCC(=O)N(CCOC(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O3/c1-8-10(15)13(9(14)7-12-8)5-6-16-11(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeySSZRZIJXOSPNAW-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,6-dione
CID 66074319
1-but-3-ynyl-3-methylpiperazine-2,6-dione
CID 66076454
3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,6-dione
CID 116617523
1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione
CID 66075679
3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione
CID 163797402
3-methyl-1-(2-methylpropyl)piperazine-2,6-dione
CID 66075671
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione
CID 66076059
3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione
CID 66075288
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione
CID 114015239
3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione
CID 66074717
3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione
CID 103137992
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione (CID 112591354) is 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione is CC1NCC(=O)N(CCOC(C)(C)C)C1=O.
What is the InChIKey of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione?
The InChIKey is SSZRZIJXOSPNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-10(15)13(9(14)7-12-8)5-6-16-11(2,3)4/h8,12H,5-7H2,1-4H3.
What are the key properties of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione?
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione has a molecular weight of 228.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione is sourced from PubChem (CID 112591354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).