2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid

C21H22N2O3 — CID 118723224

IUPAC2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C21H22N2O3/c24-19(25)16-6-2-4-8-18(16)22-20(26)23-13-11-21(12-14-23)10-9-15-5-1-3-7-17(15)21/h1-8H,9-14H2,(H,22,26)(H,24,25)
InChIKeyLTJHJZHKOPRHQB-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.90
Rot. Bonds2

About 2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid

2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid (PubChem CID 118723224) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid
PubChem CID118723224
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C21H22N2O3/c24-19(25)16-6-2-4-8-18(16)22-20(26)23-13-11-21(12-14-23)10-9-15-5-1-3-7-17(15)21/h1-8H,9-14H2,(H,22,26)(H,24,25)
InChIKeyLTJHJZHKOPRHQB-UHFFFAOYSA-N
XLogP3.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid 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-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid?
The IUPAC name of 2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid (CID 118723224) is 2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid?
The canonical SMILES for 2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid is O=C(O)c1ccccc1NC(=O)N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid?
The InChIKey is LTJHJZHKOPRHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-19(25)16-6-2-4-8-18(16)22-20(26)23-13-11-21(12-14-23)10-9-15-5-1-3-7-17(15)21/h1-8H,9-14H2,(H,22,26)(H,24,25).
What are the key properties of 2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid?
2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid has a molecular weight of 350.42 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonylamino)benzoic acid is sourced from PubChem (CID 118723224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).