3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione

C12H22N2O3 — CID 112592173

IUPAC3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
SMILESCC(C)(C)OCCN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-7-6-14-8-9(15)13-12(4,5)10(14)16/h6-8H2,1-5H3,(H,13,15)
InChIKeyZDZXYOZQESNVTD-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds3

About 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione

3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione (PubChem CID 112592173) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
PubChem CID112592173
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
SMILESCC(C)(C)OCCN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-7-6-14-8-9(15)13-12(4,5)10(14)16/h6-8H2,1-5H3,(H,13,15)
InChIKeyZDZXYOZQESNVTD-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]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 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione (CID 112592173) is 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione is CC(C)(C)OCCN1CC(=O)NC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione?
The InChIKey is ZDZXYOZQESNVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-7-6-14-8-9(15)13-12(4,5)10(14)16/h6-8H2,1-5H3,(H,13,15).
What are the key properties of 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione?
3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione is sourced from PubChem (CID 112592173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).