3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione

C15H26N2O3 — CID 64887574

IUPAC3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1CC1CCCCO1
InChIInChI=1S/C15H26N2O3/c1-4-12-13(18)16-15(3,5-2)14(19)17(12)10-11-8-6-7-9-20-11/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyPHTFSUGLSYSPPL-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.46
Rot. Bonds4

About 3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione

3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64887574) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
PubChem CID64887574
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1CC1CCCCO1
InChIInChI=1S/C15H26N2O3/c1-4-12-13(18)16-15(3,5-2)14(19)17(12)10-11-8-6-7-9-20-11/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyPHTFSUGLSYSPPL-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64960376
6-ethyl-3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002967
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044
3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 107415608
3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64885686
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83250968
3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
CID 82737026
6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170495
1-(cyclobutylmethyl)-3-ethyl-3-methyl-6-propylpiperazine-2,5-dione
CID 65460685
3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078125
5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 106000174

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione (CID 64887574) is 3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione is CCC1C(=O)NC(C)(CC)C(=O)N1CC1CCCCO1.
What is the InChIKey of 3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is PHTFSUGLSYSPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-12-13(18)16-15(3,5-2)14(19)17(12)10-11-8-6-7-9-20-11/h11-12H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64887574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).