8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid

C15H17F3N4O2 — CID 122453546

IUPAC8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid
SMILESCN1CCn2c(C(F)(F)F)cc(C#N)c2C12CCN(C(=O)O)CC2
InChIInChI=1S/C15H17F3N4O2/c1-20-6-7-22-11(15(16,17)18)8-10(9-19)12(22)14(20)2-4-21(5-3-14)13(23)24/h8H,2-7H2,1H3,(H,23,24)
InChIKeyHBEVBLPWXOQXAW-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.29
Rot. Bonds

About 8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid

8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid (PubChem CID 122453546) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid
PubChem CID122453546
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid
SMILESCN1CCn2c(C(F)(F)F)cc(C#N)c2C12CCN(C(=O)O)CC2
InChIInChI=1S/C15H17F3N4O2/c1-20-6-7-22-11(15(16,17)18)8-10(9-19)12(22)14(20)2-4-21(5-3-14)13(23)24/h8H,2-7H2,1H3,(H,23,24)
InChIKeyHBEVBLPWXOQXAW-UHFFFAOYSA-N
XLogP2.29
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid (CID 122453546) is 8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid is CN1CCn2c(C(F)(F)F)cc(C#N)c2C12CCN(C(=O)O)CC2.
What is the InChIKey of 8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid?
The InChIKey is HBEVBLPWXOQXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-20-6-7-22-11(15(16,17)18)8-10(9-19)12(22)14(20)2-4-21(5-3-14)13(23)24/h8H,2-7H2,1H3,(H,23,24).
What are the key properties of 8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid?
8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid has a molecular weight of 342.32 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyano-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 122453546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).