6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one

C15H14BrF3N2O2 — CID 162705629

IUPAC6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)C(F)(F)F)CC2)c2ccc(Br)cc21
InChIInChI=1S/C15H14BrF3N2O2/c1-20-11-8-9(16)2-3-10(11)14(12(20)22)4-6-21(7-5-14)13(23)15(17,18)19/h2-3,8H,4-7H2,1H3
InChIKeyZRWTWJNNVMZAHV-UHFFFAOYSA-N
MW391.19 g/mol
LogP2.85
Rot. Bonds

About 6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one

6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 162705629) has the molecular formula C15H14BrF3N2O2 and a molecular weight of 391.19 g/mol. Its IUPAC name is 6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID162705629
Molecular FormulaC15H14BrF3N2O2
Molecular Weight391.19 g/mol
Exact Mass390.02
IUPAC Name6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)C(F)(F)F)CC2)c2ccc(Br)cc21
InChIInChI=1S/C15H14BrF3N2O2/c1-20-11-8-9(16)2-3-10(11)14(12(20)22)4-6-21(7-5-14)13(23)15(17,18)19/h2-3,8H,4-7H2,1H3
InChIKeyZRWTWJNNVMZAHV-UHFFFAOYSA-N
XLogP2.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.19
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one (CID 162705629) is 6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(C(=O)C(F)(F)F)CC2)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is ZRWTWJNNVMZAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N2O2/c1-20-11-8-9(16)2-3-10(11)14(12(20)22)4-6-21(7-5-14)13(23)15(17,18)19/h2-3,8H,4-7H2,1H3.
What are the key properties of 6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one?
6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 391.19 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 162705629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).