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

C13H21F3N2O2 — CID 64902045

IUPAC6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)(C)C)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C13H21F3N2O2/c1-5-8-11(20)18(7-6-13(14,15)16)9(10(19)17-8)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,17,19)
InChIKeyIBFNUQCXPIGRBG-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.09
Rot. Bonds3

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

6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (PubChem CID 64902045) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
PubChem CID64902045
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)(C)C)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C13H21F3N2O2/c1-5-8-11(20)18(7-6-13(14,15)16)9(10(19)17-8)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,17,19)
InChIKeyIBFNUQCXPIGRBG-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione
CID 81113020
6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione
CID 82934453
6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64902809
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
2-cyclopentyl-5-ethyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255350
3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64902587
6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione
CID 64873376
6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione
CID 82926672
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522571
3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione
CID 64901185
6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64902495

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (CID 64902045) is 6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is CCC1NC(=O)C(C(C)(C)C)N(CCC(F)(F)F)C1=O.
What is the InChIKey of 6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The InChIKey is IBFNUQCXPIGRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-5-8-11(20)18(7-6-13(14,15)16)9(10(19)17-8)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,17,19).
What are the key properties of 6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione has a molecular weight of 294.32 g/mol, XLogP of 2.09, 3 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-(3,3,3-trifluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 64902045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).