1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

C19H18F3N3O2 — CID 171350216

IUPAC1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESO=C1Nc2ncccc2C12CCN(Cc1ccccc1OC(F)(F)F)CC2
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)27-15-6-2-1-4-13(15)12-25-10-7-18(8-11-25)14-5-3-9-23-16(14)24-17(18)26/h1-6,9H,7-8,10-12H2,(H,23,24,26)
InChIKeyASBLUZMIBQRIEW-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.47
Rot. Bonds3

About 1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (PubChem CID 171350216) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
PubChem CID171350216
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESO=C1Nc2ncccc2C12CCN(Cc1ccccc1OC(F)(F)F)CC2
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)27-15-6-2-1-4-13(15)12-25-10-7-18(8-11-25)14-5-3-9-23-16(14)24-17(18)26/h1-6,9H,7-8,10-12H2,(H,23,24,26)
InChIKeyASBLUZMIBQRIEW-UHFFFAOYSA-N
XLogP3.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (CID 171350216) is 1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is O=C1Nc2ncccc2C12CCN(Cc1ccccc1OC(F)(F)F)CC2.
What is the InChIKey of 1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The InChIKey is ASBLUZMIBQRIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-19(21,22)27-15-6-2-1-4-13(15)12-25-10-7-18(8-11-25)14-5-3-9-23-16(14)24-17(18)26/h1-6,9H,7-8,10-12H2,(H,23,24,26).
What are the key properties of 1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one has a molecular weight of 377.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 171350216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).