6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione

C13H21F3N2O2 — CID 64901168

IUPAC6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)(C)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C13H21F3N2O2/c1-8(2)7-9-10(19)18(6-5-13(14,15)16)12(3,4)11(20)17-9/h8-9H,5-7H2,1-4H3,(H,17,20)
InChIKeyOLCSHZMLZDCART-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.09
Rot. Bonds4

About 6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione

6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (PubChem CID 64901168) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
PubChem CID64901168
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)(C)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C13H21F3N2O2/c1-8(2)7-9-10(19)18(6-5-13(14,15)16)12(3,4)11(20)17-9/h8-9H,5-7H2,1-4H3,(H,17,20)
InChIKeyOLCSHZMLZDCART-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519279
1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901357
3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64903585
6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64900781
3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902187
1-[(3-bromothiophen-2-yl)methyl]-6,6-dimethyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901165
3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
CID 80696451
6-ethyl-6-methyl-3-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64901542
1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
CID 103016836
3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64887340
6,6-dimethyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627631
3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione
CID 64903586

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (CID 64901168) is 6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)(C)N(CCC(F)(F)F)C1=O.
What is the InChIKey of 6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The InChIKey is OLCSHZMLZDCART-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-8(2)7-9-10(19)18(6-5-13(14,15)16)12(3,4)11(20)17-9/h8-9H,5-7H2,1-4H3,(H,17,20).
What are the key properties of 6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione has a molecular weight of 294.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 64901168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).