tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate

C18H23F3N2O2 — CID 118195671

IUPACtert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNc1cccc(C(F)(F)F)c12
InChIInChI=1S/C18H23F3N2O2/c1-16(2,3)25-15(24)23-9-7-17(8-10-23)11-22-13-6-4-5-12(14(13)17)18(19,20)21/h4-6,22H,7-11H2,1-3H3
InChIKeyLZUATKFQCAMJLE-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.40
Rot. Bonds

About tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate

tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate (PubChem CID 118195671) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
PubChem CID118195671
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Nametert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNc1cccc(C(F)(F)F)c12
InChIInChI=1S/C18H23F3N2O2/c1-16(2,3)25-15(24)23-9-7-17(8-10-23)11-22-13-6-4-5-12(14(13)17)18(19,20)21/h4-6,22H,7-11H2,1-3H3
InChIKeyLZUATKFQCAMJLE-UHFFFAOYSA-N
XLogP4.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate 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 tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate (CID 118195671) is tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CNc1cccc(C(F)(F)F)c12.
What is the InChIKey of tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is LZUATKFQCAMJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-16(2,3)25-15(24)23-9-7-17(8-10-23)11-22-13-6-4-5-12(14(13)17)18(19,20)21/h4-6,22H,7-11H2,1-3H3.
What are the key properties of tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 356.39 g/mol, XLogP of 4.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 118195671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).