1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one

C24H27FN2O2 — CID 146592304

IUPAC1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(CC2CCCO2)c2cccc(F)c2C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C24H27FN2O2/c25-20-9-4-10-21-22(20)24(23(28)27(21)17-19-8-5-15-29-19)11-13-26(14-12-24)16-18-6-2-1-3-7-18/h1-4,6-7,9-10,19H,5,8,11-17H2
InChIKeyUYZUVCOLJOZSEI-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.89
Rot. Bonds4

About 1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one

1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 146592304) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID146592304
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(CC2CCCO2)c2cccc(F)c2C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C24H27FN2O2/c25-20-9-4-10-21-22(20)24(23(28)27(21)17-19-8-5-15-29-19)11-13-26(14-12-24)16-18-6-2-1-3-7-18/h1-4,6-7,9-10,19H,5,8,11-17H2
InChIKeyUYZUVCOLJOZSEI-UHFFFAOYSA-N
XLogP3.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one (CID 146592304) is 1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one is O=C1N(CC2CCCO2)c2cccc(F)c2C12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is UYZUVCOLJOZSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c25-20-9-4-10-21-22(20)24(23(28)27(21)17-19-8-5-15-29-19)11-13-26(14-12-24)16-18-6-2-1-3-7-18/h1-4,6-7,9-10,19H,5,8,11-17H2.
What are the key properties of 1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 394.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146592304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).