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

C13H15FN2O2 — CID 70345928

IUPAC5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(O)CC2)c2cc(F)ccc21
InChIInChI=1S/C13H15FN2O2/c1-15-11-3-2-9(14)8-10(11)13(12(15)17)4-6-16(18)7-5-13/h2-3,8,18H,4-7H2,1H3
InChIKeyWMTRHJKNUXOZPH-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.52
Rot. Bonds

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

5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 70345928) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID70345928
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(O)CC2)c2cc(F)ccc21
InChIInChI=1S/C13H15FN2O2/c1-15-11-3-2-9(14)8-10(11)13(12(15)17)4-6-16(18)7-5-13/h2-3,8,18H,4-7H2,1H3
InChIKeyWMTRHJKNUXOZPH-UHFFFAOYSA-N
XLogP1.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 70345928) is 5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(O)CC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is WMTRHJKNUXOZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-15-11-3-2-9(14)8-10(11)13(12(15)17)4-6-16(18)7-5-13/h2-3,8,18H,4-7H2,1H3.
What are the key properties of 5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one?
5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 250.27 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 70345928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).