(2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one

C23H23F3N2O3 — CID 59862923

IUPAC(2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESC[C@H]1CC2(C[C@H](C)N1C(=O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccccc12
InChIInChI=1S/C23H23F3N2O3/c1-14-11-22(16-7-3-5-9-18(16)27-21(22)30)12-15(2)28(14)20(29)13-31-19-10-6-4-8-17(19)23(24,25)26/h3-10,14-15H,11-13H2,1-2H3,(H,27,30)/t14-,15-/m0/s1
InChIKeyBULJDMWGARHMQD-GJZGRUSLSA-N
MW432.44 g/mol
LogP4.37
Rot. Bonds3

About (2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one

(2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 59862923) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is (2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name(2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID59862923
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name(2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESC[C@H]1CC2(C[C@H](C)N1C(=O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccccc12
InChIInChI=1S/C23H23F3N2O3/c1-14-11-22(16-7-3-5-9-18(16)27-21(22)30)12-15(2)28(14)20(29)13-31-19-10-6-4-8-17(19)23(24,25)26/h3-10,14-15H,11-13H2,1-2H3,(H,27,30)/t14-,15-/m0/s1
InChIKeyBULJDMWGARHMQD-GJZGRUSLSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-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 (2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of (2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 59862923) is (2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for (2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for (2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one is C[C@H]1CC2(C[C@H](C)N1C(=O)COc1ccccc1C(F)(F)F)C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is BULJDMWGARHMQD-GJZGRUSLSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c1-14-11-22(16-7-3-5-9-18(16)27-21(22)30)12-15(2)28(14)20(29)13-31-19-10-6-4-8-17(19)23(24,25)26/h3-10,14-15H,11-13H2,1-2H3,(H,27,30)/t14-,15-/m0/s1.
What are the key properties of (2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
(2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 432.44 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 59862923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).