5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one

C13H15FN2O — CID 69265135

IUPAC5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C13H15FN2O/c1-16-11-3-2-9(14)8-10(11)13(12(16)17)4-6-15-7-5-13/h2-3,8,15H,4-7H2,1H3
InChIKeyQVBYLCAPEDLNKN-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.42
Rot. Bonds

About 5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one

5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 69265135) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID69265135
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C13H15FN2O/c1-16-11-3-2-9(14)8-10(11)13(12(16)17)4-6-15-7-5-13/h2-3,8,15H,4-7H2,1H3
InChIKeyQVBYLCAPEDLNKN-UHFFFAOYSA-N
XLogP1.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 69265135) is 5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCNCC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is QVBYLCAPEDLNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-16-11-3-2-9(14)8-10(11)13(12(16)17)4-6-15-7-5-13/h2-3,8,15H,4-7H2,1H3.
What are the key properties of 5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one?
5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 234.27 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 69265135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).