1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one

C23H25FN2O3 — CID 146648333

IUPAC1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)(O)CN1C(=O)C2(CCN(C(=O)c3ccccc3)CC2)c2c(F)cccc21
InChIInChI=1S/C23H25FN2O3/c1-22(2,29)15-26-18-10-6-9-17(24)19(18)23(21(26)28)11-13-25(14-12-23)20(27)16-7-4-3-5-8-16/h3-10,29H,11-15H2,1-2H3
InChIKeyZVGVIMMIUFEKCI-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.12
Rot. Bonds3

About 1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one

1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 146648333) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID146648333
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)(O)CN1C(=O)C2(CCN(C(=O)c3ccccc3)CC2)c2c(F)cccc21
InChIInChI=1S/C23H25FN2O3/c1-22(2,29)15-26-18-10-6-9-17(24)19(18)23(21(26)28)11-13-25(14-12-23)20(27)16-7-4-3-5-8-16/h3-10,29H,11-15H2,1-2H3
InChIKeyZVGVIMMIUFEKCI-UHFFFAOYSA-N
XLogP3.12
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one (CID 146648333) is 1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one is CC(C)(O)CN1C(=O)C2(CCN(C(=O)c3ccccc3)CC2)c2c(F)cccc21.
What is the InChIKey of 1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is ZVGVIMMIUFEKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-22(2,29)15-26-18-10-6-9-17(24)19(18)23(21(26)28)11-13-25(14-12-23)20(27)16-7-4-3-5-8-16/h3-10,29H,11-15H2,1-2H3.
What are the key properties of 1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one?
1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 396.46 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzoyl-4-fluoro-1-(2-hydroxy-2-methylpropyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146648333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).