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

C15H26N2O3 — CID 64886924

IUPAC3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1CC1CCOC1
InChIInChI=1S/C15H26N2O3/c1-4-12-13(18)16-15(5-2,6-3)14(19)17(12)9-11-7-8-20-10-11/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyIQLDAVBKBUAOOH-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds5

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

3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione (PubChem CID 64886924) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
PubChem CID64886924
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1CC1CCOC1
InChIInChI=1S/C15H26N2O3/c1-4-12-13(18)16-15(5-2,6-3)14(19)17(12)9-11-7-8-20-10-11/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyIQLDAVBKBUAOOH-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,6-triethyl-1-(oxolan-3-ylmethyl)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

Related Compounds

1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione
CID 64964115
1-(cyclobutylmethyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64960376
2-ethyl-3-(oxolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83255122
6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64901613
3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 107415608
1-(cyclobutylmethyl)-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960315
6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64885975
3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409196
3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione
CID 65043214
3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64887574
3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409497
3,3-diethyl-1,6-dipropylpiperazine-2,5-dione
CID 64886735

Frequently Asked Questions

What is the IUPAC name of 3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione (CID 64886924) is 3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione is CCC1C(=O)NC(CC)(CC)C(=O)N1CC1CCOC1.
What is the InChIKey of 3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is IQLDAVBKBUAOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-12-13(18)16-15(5-2,6-3)14(19)17(12)9-11-7-8-20-10-11/h11-12H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione?
3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64886924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).