5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid

C14H15F3N2O3 — CID 118195749

IUPAC5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CNc1ccc(OC(F)(F)F)cc12
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)22-9-1-2-11-10(7-9)13(8-18-11)3-5-19(6-4-13)12(20)21/h1-2,7,18H,3-6,8H2,(H,20,21)
InChIKeyINHJRQJCTBDHQU-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.02
Rot. Bonds1

About 5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid

5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 118195749) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
PubChem CID118195749
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CNc1ccc(OC(F)(F)F)cc12
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)22-9-1-2-11-10(7-9)13(8-18-11)3-5-19(6-4-13)12(20)21/h1-2,7,18H,3-6,8H2,(H,20,21)
InChIKeyINHJRQJCTBDHQU-UHFFFAOYSA-N
XLogP3.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid 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

5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid
CID 90449913
spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid
CID 118195760
4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid
CID 23149910
1-[(2-chloro-4-pyridinyl)-methylcarbamoyl]-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
CID 118195805
4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 106701810
1-(5-sulfanylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)ethanone
CID 90463958
methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 90464018
benzyl 5-(4-fluorophenyl)sulfanylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
CID 71246037
[2-bromo-5-(trifluoromethoxy)phenyl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 172648525
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 118788787

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid (CID 118195749) is 5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid is O=C(O)N1CCC2(CC1)CNc1ccc(OC(F)(F)F)cc12.
What is the InChIKey of 5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is INHJRQJCTBDHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c15-14(16,17)22-9-1-2-11-10(7-9)13(8-18-11)3-5-19(6-4-13)12(20)21/h1-2,7,18H,3-6,8H2,(H,20,21).
What are the key properties of 5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid?
5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 316.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 118195749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).