3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione

C15H28N2O3 — CID 64901866

IUPAC3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)(CC)N(CCOC(C)C)C1=O
InChIInChI=1S/C15H28N2O3/c1-6-12-13(18)17(9-10-20-11(4)5)15(7-2,8-3)14(19)16-12/h11-12H,6-10H2,1-5H3,(H,16,19)
InChIKeyGZOSLGDIKORDJS-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds7

About 3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione

3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione (PubChem CID 64901866) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
PubChem CID64901866
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)(CC)N(CCOC(C)C)C1=O
InChIInChI=1S/C15H28N2O3/c1-6-12-13(18)17(9-10-20-11(4)5)15(7-2,8-3)14(19)16-12/h11-12H,6-10H2,1-5H3,(H,16,19)
InChIKeyGZOSLGDIKORDJS-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
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-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
The IUPAC name of 3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione (CID 64901866) is 3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione is CCC1NC(=O)C(CC)(CC)N(CCOC(C)C)C1=O.
What is the InChIKey of 3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
The InChIKey is GZOSLGDIKORDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-12-13(18)17(9-10-20-11(4)5)15(7-2,8-3)14(19)16-12/h11-12H,6-10H2,1-5H3,(H,16,19).
What are the key properties of 3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 64901866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).