methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate

C11H18F3N3O3 — CID 78900437

IUPACmethyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(CC(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O3/c1-15(8-11(12,13)14)9(18)7-16-3-5-17(6-4-16)10(19)20-2/h3-8H2,1-2H3
InChIKeySNESMYNTTHEZPT-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.39
Rot. Bonds3

About methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate

methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 78900437) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID78900437
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Namemethyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(CC(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O3/c1-15(8-11(12,13)14)9(18)7-16-3-5-17(6-4-16)10(19)20-2/h3-8H2,1-2H3
InChIKeySNESMYNTTHEZPT-UHFFFAOYSA-N
XLogP0.39
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate (CID 78900437) is methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate is COC(=O)N1CCN(CC(=O)N(C)CC(F)(F)F)CC1.
What is the InChIKey of methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is SNESMYNTTHEZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-15(8-11(12,13)14)9(18)7-16-3-5-17(6-4-16)10(19)20-2/h3-8H2,1-2H3.
What are the key properties of methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate?
methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 297.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 78900437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).