3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione

C16H26N2O3 — CID 80725478

IUPAC3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1C1CC2CCC1O2
InChIInChI=1S/C16H26N2O3/c1-5-10-14(19)17-13(16(2,3)4)15(20)18(10)11-8-9-6-7-12(11)21-9/h9-13H,5-8H2,1-4H3,(H,17,19)
InChIKeyHAZHUJZJLHJSMZ-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.46
Rot. Bonds2

About 3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione

3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione (PubChem CID 80725478) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione
PubChem CID80725478
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1C1CC2CCC1O2
InChIInChI=1S/C16H26N2O3/c1-5-10-14(19)17-13(16(2,3)4)15(20)18(10)11-8-9-6-7-12(11)21-9/h9-13H,5-8H2,1-4H3,(H,17,19)
InChIKeyHAZHUJZJLHJSMZ-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione with MolForge

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Related Compounds

8-ethyl-9-(7-oxabicyclo[2.2.1]heptan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 80725501
3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 80731819
3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
CID 64959537
2-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83270692
3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 80732818
2-cyclopentyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one
CID 83267451
5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one
CID 83270218
(3aS,4R,7S,7aR)-2-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 155963249
2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one
CID 83271173
3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64960457
3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione
CID 64902463
3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64902074

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione (CID 80725478) is 3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione is CCC1C(=O)NC(C(C)(C)C)C(=O)N1C1CC2CCC1O2.
What is the InChIKey of 3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione?
The InChIKey is HAZHUJZJLHJSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-10-14(19)17-13(16(2,3)4)15(20)18(10)11-8-9-6-7-12(11)21-9/h9-13H,5-8H2,1-4H3,(H,17,19).
What are the key properties of 3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione?
3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione has a molecular weight of 294.39 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 80725478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).