1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one

C24H24F4N2O2 — CID 160924405

IUPAC1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C(CCC(F)(F)F)CN1C(=O)C2(CCN(Cc3ccccc3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H24F4N2O2/c25-18-6-7-21-20(14-18)23(22(32)30(21)16-19(31)8-9-24(26,27)28)10-12-29(13-11-23)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2
InChIKeySSLLMNOVXMLNOT-UHFFFAOYSA-N
MW448.46 g/mol
LogP4.62
Rot. Bonds6

About 1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one

1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 160924405) has the molecular formula C24H24F4N2O2 and a molecular weight of 448.46 g/mol. Its IUPAC name is 1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID160924405
Molecular FormulaC24H24F4N2O2
Molecular Weight448.46 g/mol
Exact Mass448.18
IUPAC Name1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C(CCC(F)(F)F)CN1C(=O)C2(CCN(Cc3ccccc3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H24F4N2O2/c25-18-6-7-21-20(14-18)23(22(32)30(21)16-19(31)8-9-24(26,27)28)10-12-29(13-11-23)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2
InChIKeySSLLMNOVXMLNOT-UHFFFAOYSA-N
XLogP4.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 152907962
1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 147971308
1-(1'-benzyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-3,3-dimethylbutan-1-one
CID 23760772
1'-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375647
1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine
CID 164862876
2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95719767
2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70736858
4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 159092005
2-(1'-benzyl-4-bromo-7-fluoro-2-oxospiro[indole-3,4'-piperidine]-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 130323651
tert-butyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetate
CID 18449412
2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 134540380
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one (CID 160924405) is 1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one is O=C(CCC(F)(F)F)CN1C(=O)C2(CCN(Cc3ccccc3)CC2)c2cc(F)ccc21.
What is the InChIKey of 1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is SSLLMNOVXMLNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N2O2/c25-18-6-7-21-20(14-18)23(22(32)30(21)16-19(31)8-9-24(26,27)28)10-12-29(13-11-23)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2.
What are the key properties of 1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 448.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 160924405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).