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

C25H27F3N2O2 — CID 152907962

IUPAC1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCc1cccc2c1C1(CCN(Cc3ccccc3)CC1)C(=O)N2CC(=O)CCC(F)(F)F
InChIInChI=1S/C25H27F3N2O2/c1-18-6-5-9-21-22(18)24(23(32)30(21)17-20(31)10-11-25(26,27)28)12-14-29(15-13-24)16-19-7-3-2-4-8-19/h2-9H,10-17H2,1H3
InChIKeyUGPXJZUYKCDZPC-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.79
Rot. Bonds6

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

1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 152907962) has the molecular formula C25H27F3N2O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID152907962
Molecular FormulaC25H27F3N2O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCc1cccc2c1C1(CCN(Cc3ccccc3)CC1)C(=O)N2CC(=O)CCC(F)(F)F
InChIInChI=1S/C25H27F3N2O2/c1-18-6-5-9-21-22(18)24(23(32)30(21)17-20(31)10-11-25(26,27)28)12-14-29(15-13-24)16-19-7-3-2-4-8-19/h2-9H,10-17H2,1H3
InChIKeyUGPXJZUYKCDZPC-UHFFFAOYSA-N
XLogP4.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 160924405
4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 159092005
1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 147971308
2-(1'-benzyl-4-bromo-7-fluoro-2-oxospiro[indole-3,4'-piperidine]-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 130323651
2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95717579
2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70736858
ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate
CID 83290555
2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid
CID 62399064
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
tert-butyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-1-yl]acetate
CID 18449412
1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one
CID 175186657
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one (CID 152907962) is 1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one is Cc1cccc2c1C1(CCN(Cc3ccccc3)CC1)C(=O)N2CC(=O)CCC(F)(F)F.
What is the InChIKey of 1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is UGPXJZUYKCDZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O2/c1-18-6-5-9-21-22(18)24(23(32)30(21)17-20(31)10-11-25(26,27)28)12-14-29(15-13-24)16-19-7-3-2-4-8-19/h2-9H,10-17H2,1H3.
What are the key properties of 1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 444.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 152907962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).