8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

C14H16F3N3O2 — CID 144985924

IUPAC8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1ccc(=O)n2c1C(=O)NC21CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H16F3N3O2/c1-9-2-3-10(21)20-11(9)12(22)18-13(20)4-6-19(7-5-13)8-14(15,16)17/h2-3H,4-8H2,1H3,(H,18,22)
InChIKeyZUKRGCUPUQYNOC-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.21
Rot. Bonds1

About 8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 144985924) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID144985924
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1ccc(=O)n2c1C(=O)NC21CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H16F3N3O2/c1-9-2-3-10(21)20-11(9)12(22)18-13(20)4-6-19(7-5-13)8-14(15,16)17/h2-3H,4-8H2,1H3,(H,18,22)
InChIKeyZUKRGCUPUQYNOC-UHFFFAOYSA-N
XLogP1.21
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of 8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 144985924) is 8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.
What is the SMILES notation for 8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for 8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is Cc1ccc(=O)n2c1C(=O)NC21CCN(CC(F)(F)F)CC1.
What is the InChIKey of 8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is ZUKRGCUPUQYNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-9-2-3-10(21)20-11(9)12(22)18-13(20)4-6-19(7-5-13)8-14(15,16)17/h2-3H,4-8H2,1H3,(H,18,22).
What are the key properties of 8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione has a molecular weight of 315.30 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 144985924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).