1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one

C16H16F3N3O2 — CID 146637284

IUPAC1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one
SMILESO=C1Nc2cnccc2C12CCN(C(=O)C1(C(F)(F)F)CC1)CC2
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)15(2-3-15)13(24)22-7-4-14(5-8-22)10-1-6-20-9-11(10)21-12(14)23/h1,6,9H,2-5,7-8H2,(H,21,23)
InChIKeyFAXLOXPOTIWYRM-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.24
Rot. Bonds1

About 1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one

1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one (PubChem CID 146637284) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one
PubChem CID146637284
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one
SMILESO=C1Nc2cnccc2C12CCN(C(=O)C1(C(F)(F)F)CC1)CC2
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)15(2-3-15)13(24)22-7-4-14(5-8-22)10-1-6-20-9-11(10)21-12(14)23/h1,6,9H,2-5,7-8H2,(H,21,23)
InChIKeyFAXLOXPOTIWYRM-UHFFFAOYSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one with MolForge

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Related Compounds

N-[[6-(4,4,4-trifluorobutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621308
US10166214, Example 23
CID 86293508
1-[[(2R,5R)-1-[2-[6-[cyclopropyl(difluoro)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]pyrrolidin-2-one
CID 90232456
1H-Pyrrolo[2,3-C]pyridin-2(3H)-one
CID 11643933
US10730889, Example 287
CID 118621332
US10730889, Example 188
CID 145741264
8-{[6-(Trifluoromethyl)pyridin-3-YL]methyl}-2,8-diazaspiro[4.5]decan-3-one
CID 50962232
N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide
CID 53384130
1-[(3aR,7aR)-5-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-cyclopropylethanone
CID 97508680
1'-Acetyl-5-fluoro-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one
CID 97521728
9-(2-Pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one
CID 118742235
3-Ethyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 11686956

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one (CID 146637284) is 1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one is O=C1Nc2cnccc2C12CCN(C(=O)C1(C(F)(F)F)CC1)CC2.
What is the InChIKey of 1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one?
The InChIKey is FAXLOXPOTIWYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)15(2-3-15)13(24)22-7-4-14(5-8-22)10-1-6-20-9-11(10)21-12(14)23/h1,6,9H,2-5,7-8H2,(H,21,23).
What are the key properties of 1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one?
1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one has a molecular weight of 339.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(trifluoromethyl)cyclopropanecarbonyl]spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 146637284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).