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

C17H18BrF3N2O2 — CID 159092005

IUPAC4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C(CCC(F)(F)F)CN1C(=O)C2(CCNCC2)c2c(Br)cccc21
InChIInChI=1S/C17H18BrF3N2O2/c18-12-2-1-3-13-14(12)16(6-8-22-9-7-16)15(25)23(13)10-11(24)4-5-17(19,20)21/h1-3,22H,4-10H2
InChIKeyKCEJFBDSTVDECV-UHFFFAOYSA-N
MW419.24 g/mol
LogP3.33
Rot. Bonds4

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

4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 159092005) has the molecular formula C17H18BrF3N2O2 and a molecular weight of 419.24 g/mol. Its IUPAC name is 4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID159092005
Molecular FormulaC17H18BrF3N2O2
Molecular Weight419.24 g/mol
Exact Mass418.05
IUPAC Name4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C(CCC(F)(F)F)CN1C(=O)C2(CCNCC2)c2c(Br)cccc21
InChIInChI=1S/C17H18BrF3N2O2/c18-12-2-1-3-13-14(12)16(6-8-22-9-7-16)15(25)23(13)10-11(24)4-5-17(19,20)21/h1-3,22H,4-10H2
InChIKeyKCEJFBDSTVDECV-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 147971308
methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate
CID 130323698
2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 130323517
1'-benzyl-4-methyl-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 152907962
2-[5-fluoro-4-(iodomethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 130323628
1'-benzyl-5-fluoro-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 160924405
1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one
CID 175186657
2-[4'-bromo-4-(1H-indazol-5-yloxy)-2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 176975407
4-chloro-5-fluoro-1'-(1H-pyrazolo[4,3-d]pyrimidine-5-carbonyl)-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 159808341
4-fluoro-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 138594585
2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70736858
4,5-difluoro-1-[2-hydroxy-2-(2,2,2-trifluoroethylamino)ethyl]spiro[indole-3,4'-piperidine]-2-one
CID 130323701

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one (CID 159092005) is 4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one is O=C(CCC(F)(F)F)CN1C(=O)C2(CCNCC2)c2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is KCEJFBDSTVDECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF3N2O2/c18-12-2-1-3-13-14(12)16(6-8-22-9-7-16)15(25)23(13)10-11(24)4-5-17(19,20)21/h1-3,22H,4-10H2.
What are the key properties of 4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one?
4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 419.24 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 159092005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).