3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione

C13H24N2O3 — CID 64902074

IUPAC3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1CCOC
InChIInChI=1S/C13H24N2O3/c1-6-9-11(16)14-10(13(2,3)4)12(17)15(9)7-8-18-5/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyPOCRWPCLHVPLSA-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.78
Rot. Bonds4

About 3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione

3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione (PubChem CID 64902074) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
PubChem CID64902074
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1CCOC
InChIInChI=1S/C13H24N2O3/c1-6-9-11(16)14-10(13(2,3)4)12(17)15(9)7-8-18-5/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyPOCRWPCLHVPLSA-UHFFFAOYSA-N
XLogP0.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64873869
3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459018
3-tert-butyl-6-ethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine-2,5-dione
CID 106433086
6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione
CID 64902272
3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione
CID 64901503
6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64902809
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64880764
1-[(4-bromothiophen-2-yl)methyl]-3-tert-butyl-6-ethylpiperazine-2,5-dione
CID 64903034
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 103184655
3-cyclohexyl-1-(2-methoxyethyl)-6-propylpiperazine-2,5-dione
CID 64885264

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione (CID 64902074) is 3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione is CCC1C(=O)NC(C(C)(C)C)C(=O)N1CCOC.
What is the InChIKey of 3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione?
The InChIKey is POCRWPCLHVPLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-6-9-11(16)14-10(13(2,3)4)12(17)15(9)7-8-18-5/h9-10H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione?
3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione has a molecular weight of 256.35 g/mol, XLogP of 0.78, 4 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-(2-methoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 64902074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).