Basic information
- Standard SMILES
CN1Cc2ccccc2C12CCN(C(=O)c1c[nH]c3cc(Cl)ccc13)CC2- InChIKey
PWLOAFSTVFCASX-UHFFFAOYSA-N- Molecular formula
- C22H22ClN3O
- Average molar mass
- 379.9 g/mol
Names & identifiers
- Preferred name
- 1'-[(6-Chloro-1H-indol-3-yl)carbonyl]-2-methyl-2,3-dihydrospiro[isoindole-1,4'-piperidine]
- IUPAC
- (6-chloro-1H-indol-3-yl)-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)methanone
Names & synonyms
SCHEMBL4358765PWLOAFSTVFCASX-UHFFFAOYSA-N1'-[(6-Chloro-1H-indol-3-yl)carbonyl]-2-methyl-2,3-dihydrospiro[isoindole-1,4'-piperidine]
Database identifiers
- PubChem CID
- 59657657
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 576
Related reactions
3 records
Compound notes
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