4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid

C11H17F3N2O3 — CID 79261099

IUPAC4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-10(9(18)19)2-4-16(5-3-10)8(17)6-15-7-11(12,13)14/h15H,2-7H2,1H3,(H,18,19)
InChIKeySTUPOZPSAAUJOY-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.85
Rot. Bonds4

About 4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid

4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid (PubChem CID 79261099) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid
PubChem CID79261099
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-10(9(18)19)2-4-16(5-3-10)8(17)6-15-7-11(12,13)14/h15H,2-7H2,1H3,(H,18,19)
InChIKeySTUPOZPSAAUJOY-UHFFFAOYSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid 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 4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid (CID 79261099) is 4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is STUPOZPSAAUJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-10(9(18)19)2-4-16(5-3-10)8(17)6-15-7-11(12,13)14/h15H,2-7H2,1H3,(H,18,19).
What are the key properties of 4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid?
4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 79261099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).