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

C16H30N2O2 — CID 82934453

IUPAC6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione
SMILESCCC(CC)CN1C(=O)C(CC)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-7-11(8-2)10-18-13(16(4,5)6)14(19)17-12(9-3)15(18)20/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyWCJRHTDYPDWPKI-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.57
Rot. Bonds5

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

6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione (PubChem CID 82934453) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione
PubChem CID82934453
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione
SMILESCCC(CC)CN1C(=O)C(CC)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-7-11(8-2)10-18-13(16(4,5)6)14(19)17-12(9-3)15(18)20/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyWCJRHTDYPDWPKI-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione
CID 82926672
6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902045
6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione
CID 81113020
6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
CID 64872557
6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64902809
3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione
CID 82935951
6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056525
1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione
CID 82934942
6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione
CID 64873376
6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873023
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione (CID 82934453) is 6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione is CCC(CC)CN1C(=O)C(CC)NC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione?
The InChIKey is WCJRHTDYPDWPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-7-11(8-2)10-18-13(16(4,5)6)14(19)17-12(9-3)15(18)20/h11-13H,7-10H2,1-6H3,(H,17,19).
What are the key properties of 6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione?
6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 82934453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).