2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid

C23H26ClFN2O2 — CID 11640299

IUPAC2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid
SMILESCN1CC2(CCN(CC(Cc3ccccc3Cl)C(=O)O)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H26ClFN2O2/c1-26-15-23(19-13-18(25)6-7-21(19)26)8-10-27(11-9-23)14-17(22(28)29)12-16-4-2-3-5-20(16)24/h2-7,13,17H,8-12,14-15H2,1H3,(H,28,29)
InChIKeyUJQAIZOJFNHFII-UHFFFAOYSA-N
MW416.92 g/mol
LogP4.21
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid

2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid (PubChem CID 11640299) has the molecular formula C23H26ClFN2O2 and a molecular weight of 416.92 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid
PubChem CID11640299
Molecular FormulaC23H26ClFN2O2
Molecular Weight416.92 g/mol
Exact Mass416.17
IUPAC Name2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid
SMILESCN1CC2(CCN(CC(Cc3ccccc3Cl)C(=O)O)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H26ClFN2O2/c1-26-15-23(19-13-18(25)6-7-21(19)26)8-10-27(11-9-23)14-17(22(28)29)12-16-4-2-3-5-20(16)24/h2-7,13,17H,8-12,14-15H2,1H3,(H,28,29)
InChIKeyUJQAIZOJFNHFII-UHFFFAOYSA-N
XLogP4.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.92
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic 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-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid (CID 11640299) is 2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid is CN1CC2(CCN(CC(Cc3ccccc3Cl)C(=O)O)CC2)c2cc(F)ccc21.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid?
The InChIKey is UJQAIZOJFNHFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O2/c1-26-15-23(19-13-18(25)6-7-21(19)26)8-10-27(11-9-23)14-17(22(28)29)12-16-4-2-3-5-20(16)24/h2-7,13,17H,8-12,14-15H2,1H3,(H,28,29).
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid?
2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid has a molecular weight of 416.92 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propanoic acid is sourced from PubChem (CID 11640299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).