3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione

C16H28N2O3 — CID 64885686

IUPAC3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(CC)(CC)N(CC2CCCO2)C1=O
InChIInChI=1S/C16H28N2O3/c1-5-15(4)14(20)18(11-12-9-8-10-21-12)16(6-2,7-3)13(19)17-15/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyWZLMKHWRICFEDM-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.85
Rot. Bonds5

About 3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione

3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64885686) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
PubChem CID64885686
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(CC)(CC)N(CC2CCCO2)C1=O
InChIInChI=1S/C16H28N2O3/c1-5-15(4)14(20)18(11-12-9-8-10-21-12)16(6-2,7-3)13(19)17-15/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyWZLMKHWRICFEDM-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione (CID 64885686) is 3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione is CCC1(C)NC(=O)C(CC)(CC)N(CC2CCCO2)C1=O.
What is the InChIKey of 3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is WZLMKHWRICFEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-15(4)14(20)18(11-12-9-8-10-21-12)16(6-2,7-3)13(19)17-15/h12H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64885686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).