6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione

C15H26N2O2 — CID 107902088

IUPAC6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
SMILESCC(C)=CCN1C(=O)C(C)(C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C15H26N2O2/c1-10(2)8-9-17-11(14(3,4)5)12(18)16-15(6,7)13(17)19/h8,11H,9H2,1-7H3,(H,16,18)
InChIKeyOUPAKWFOJYBCHV-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.10
Rot. Bonds2

About 6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione

6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione (PubChem CID 107902088) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
PubChem CID107902088
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
SMILESCC(C)=CCN1C(=O)C(C)(C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C15H26N2O2/c1-10(2)8-9-17-11(14(3,4)5)12(18)16-15(6,7)13(17)19/h8,11H,9H2,1-7H3,(H,16,18)
InChIKeyOUPAKWFOJYBCHV-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione (CID 107902088) is 6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione is CC(C)=CCN1C(=O)C(C)(C)NC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
The InChIKey is OUPAKWFOJYBCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)8-9-17-11(14(3,4)5)12(18)16-15(6,7)13(17)19/h8,11H,9H2,1-7H3,(H,16,18).
What are the key properties of 6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione is sourced from PubChem (CID 107902088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).