1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione

C14H26N2O2 — CID 79451893

IUPAC1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione
SMILESCCC(C)N1C(=O)C(C(C)(C)C)NC(=O)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-8-9(2)16-11(17)10(13(3,4)5)15-12(18)14(16,6)7/h9-10H,8H2,1-7H3,(H,15,18)
InChIKeyXJAOZULGJQUATO-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds2

About 1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione

1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione (PubChem CID 79451893) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione
PubChem CID79451893
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione
SMILESCCC(C)N1C(=O)C(C(C)(C)C)NC(=O)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-8-9(2)16-11(17)10(13(3,4)5)15-12(18)14(16,6)7/h9-10H,8H2,1-7H3,(H,15,18)
InChIKeyXJAOZULGJQUATO-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione with MolForge

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Related Compounds

1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 79452305
1-butan-2-yl-3-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 79452512
3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83148918
3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione
CID 82936711
3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione
CID 64874694
5-tert-butyl-3-ethylimidazolidine-2,4-dione
CID 131177295
3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione
CID 103016903
3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64902280
3-tert-butyl-1-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64903246
3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901135
3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056572
3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64901324

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione (CID 79451893) is 1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione is CCC(C)N1C(=O)C(C(C)(C)C)NC(=O)C1(C)C.
What is the InChIKey of 1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione?
The InChIKey is XJAOZULGJQUATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-8-9(2)16-11(17)10(13(3,4)5)15-12(18)14(16,6)7/h9-10H,8H2,1-7H3,(H,15,18).
What are the key properties of 1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione?
1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 79451893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).