6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione

C14H21F3N2O2 — CID 115519286

IUPAC6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C2CC2)N(CCCC(F)(F)F)C1=O
InChIInChI=1S/C14H21F3N2O2/c1-3-10-11(20)19(8-4-7-14(15,16)17)13(2,9-5-6-9)12(21)18-10/h9-10H,3-8H2,1-2H3,(H,18,21)
InChIKeyOYSQDBYOAODLOY-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.23
Rot. Bonds5

About 6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione

6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione (PubChem CID 115519286) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
PubChem CID115519286
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C2CC2)N(CCCC(F)(F)F)C1=O
InChIInChI=1S/C14H21F3N2O2/c1-3-10-11(20)19(8-4-7-14(15,16)17)13(2,9-5-6-9)12(21)18-10/h9-10H,3-8H2,1-2H3,(H,18,21)
InChIKeyOYSQDBYOAODLOY-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione (CID 115519286) is 6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione is CCC1NC(=O)C(C)(C2CC2)N(CCCC(F)(F)F)C1=O.
What is the InChIKey of 6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione?
The InChIKey is OYSQDBYOAODLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-3-10-11(20)19(8-4-7-14(15,16)17)13(2,9-5-6-9)12(21)18-10/h9-10H,3-8H2,1-2H3,(H,18,21).
What are the key properties of 6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione?
6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione has a molecular weight of 306.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione is sourced from PubChem (CID 115519286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).