3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione

C17H32N2O2 — CID 83148918

IUPAC3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C(C)(C)C)C(=O)N1CCCC(C)C
InChIInChI=1S/C17H32N2O2/c1-8-17(7)15(21)18-13(16(4,5)6)14(20)19(17)11-9-10-12(2)3/h12-13H,8-11H2,1-7H3,(H,18,21)
InChIKeyTXBRWUHVSZSSRO-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.96
Rot. Bonds5

About 3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione

3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione (PubChem CID 83148918) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione
PubChem CID83148918
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C(C)(C)C)C(=O)N1CCCC(C)C
InChIInChI=1S/C17H32N2O2/c1-8-17(7)15(21)18-13(16(4,5)6)14(20)19(17)11-9-10-12(2)3/h12-13H,8-11H2,1-7H3,(H,18,21)
InChIKeyTXBRWUHVSZSSRO-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione (CID 83148918) is 3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione is CCC1(C)C(=O)NC(C(C)(C)C)C(=O)N1CCCC(C)C.
What is the InChIKey of 3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione?
The InChIKey is TXBRWUHVSZSSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-8-17(7)15(21)18-13(16(4,5)6)14(20)19(17)11-9-10-12(2)3/h12-13H,8-11H2,1-7H3,(H,18,21).
What are the key properties of 3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione?
3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione is sourced from PubChem (CID 83148918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).