6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione

C15H28N2O4 — CID 64902809

IUPAC6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)(C)C)N(CCOCCOC)C1=O
InChIInChI=1S/C15H28N2O4/c1-6-11-14(19)17(7-8-21-10-9-20-5)12(13(18)16-11)15(2,3)4/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyAZWKMYWVNPKWDM-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.80
Rot. Bonds7

About 6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione

6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione (PubChem CID 64902809) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
PubChem CID64902809
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)(C)C)N(CCOCCOC)C1=O
InChIInChI=1S/C15H28N2O4/c1-6-11-14(19)17(7-8-21-10-9-20-5)12(13(18)16-11)15(2,3)4/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyAZWKMYWVNPKWDM-UHFFFAOYSA-N
XLogP0.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 103184655
6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione
CID 81113020
6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902045
6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64902495
3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
CID 106458998
6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione
CID 82934453
6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64873869
3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64902074
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64901847
3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 64903178
6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056525
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione (CID 64902809) is 6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione is CCC1NC(=O)C(C(C)(C)C)N(CCOCCOC)C1=O.
What is the InChIKey of 6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione?
The InChIKey is AZWKMYWVNPKWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-6-11-14(19)17(7-8-21-10-9-20-5)12(13(18)16-11)15(2,3)4/h11-12H,6-10H2,1-5H3,(H,16,18).
What are the key properties of 6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione?
6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione has a molecular weight of 300.40 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64902809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).