5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one

C13H14F2N2O2 — CID 168997020

IUPAC5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccc(OC(F)F)cc2C12CCNCC2
InChIInChI=1S/C13H14F2N2O2/c14-12(15)19-8-1-2-10-9(7-8)13(11(18)17-10)3-5-16-6-4-13/h1-2,7,12,16H,3-6H2,(H,17,18)
InChIKeyBFVJFHPJOQGKOD-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.86
Rot. Bonds2

About 5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one

5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 168997020) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID168997020
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccc(OC(F)F)cc2C12CCNCC2
InChIInChI=1S/C13H14F2N2O2/c14-12(15)19-8-1-2-10-9(7-8)13(11(18)17-10)3-5-16-6-4-13/h1-2,7,12,16H,3-6H2,(H,17,18)
InChIKeyBFVJFHPJOQGKOD-UHFFFAOYSA-N
XLogP1.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702093
(3S)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 99728181
5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one
CID 106702025
5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 83820003
5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 156760180
5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]
CID 168997777
(2-oxospiro[1H-indole-3,1'-cyclopropane]-6-yl) hydrogen carbonate
CID 23171245
5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 82085220
5-[5-amino-6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 50940375
3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one
CID 106987125
5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 164588624
6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
CID 16792853

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one (CID 168997020) is 5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one is O=C1Nc2ccc(OC(F)F)cc2C12CCNCC2.
What is the InChIKey of 5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is BFVJFHPJOQGKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c14-12(15)19-8-1-2-10-9(7-8)13(11(18)17-10)3-5-16-6-4-13/h1-2,7,12,16H,3-6H2,(H,17,18).
What are the key properties of 5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one?
5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 268.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 168997020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).