5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid

C13H15F5N4O2 — CID 130298573

IUPAC5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid
SMILESCC1CC(F)(F)CN(C(=O)O)C1CNc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C13H15F5N4O2/c1-7-2-12(14,15)6-22(11(23)24)8(7)3-20-10-5-19-9(4-21-10)13(16,17)18/h4-5,7-8H,2-3,6H2,1H3,(H,20,21)(H,23,24)
InChIKeyRCKXFYQKWMCSNF-UHFFFAOYSA-N
MW354.28 g/mol
LogP2.93
Rot. Bonds3

About 5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid

5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid (PubChem CID 130298573) has the molecular formula C13H15F5N4O2 and a molecular weight of 354.28 g/mol. Its IUPAC name is 5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid
PubChem CID130298573
Molecular FormulaC13H15F5N4O2
Molecular Weight354.28 g/mol
Exact Mass354.11
IUPAC Name5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid
SMILESCC1CC(F)(F)CN(C(=O)O)C1CNc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C13H15F5N4O2/c1-7-2-12(14,15)6-22(11(23)24)8(7)3-20-10-5-19-9(4-21-10)13(16,17)18/h4-5,7-8H,2-3,6H2,1H3,(H,20,21)(H,23,24)
InChIKeyRCKXFYQKWMCSNF-UHFFFAOYSA-N
XLogP2.93
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-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 5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid (CID 130298573) is 5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid is CC1CC(F)(F)CN(C(=O)O)C1CNc1cnc(C(F)(F)F)cn1.
What is the InChIKey of 5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is RCKXFYQKWMCSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N4O2/c1-7-2-12(14,15)6-22(11(23)24)8(7)3-20-10-5-19-9(4-21-10)13(16,17)18/h4-5,7-8H,2-3,6H2,1H3,(H,20,21)(H,23,24).
What are the key properties of 5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid?
5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 354.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 130298573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).