1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole, (S)-
Basic information
- CAS
444912-57-6- Standard SMILES
CN1CCCC[C@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc21- InChIKey
KSLCYQTUSSEGPT-INIZCTEOSA-N- Molecular formula
- C22H23IN2O
- Average molar mass
- 458.3 g/mol
- Monoisotopic mass
- 458.08551
Names & identifiers
- Preferred name
- 1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole, (S)-
- IUPAC
- (2-iodophenyl)-[1-[[(2S)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone
Names & synonyms
9K67K5T7JEUNII-9K67K5T7JECHEMBL1788276444912-57-61-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole, (S)-(S)-(-)-1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indoleMethanone, (2-iodophenyl)(1-(((2S)-1-methyl-2-piperidinyl)methyl)-1H-indol-3-yl)-(S)-(-)-1-[(N-Methyl-2-piperidinyl)methyl]-3-(2-iodobenzoyl)-1H-indole1-[(N-Methyl-2-piperidinyl)methyl]-3-(2-iodobenzoyl)-1H-indole, (S)-Methanone, (2-iodophenyl)[1-[[(2S)-1-methyl-2-piperidinyl]methyl]-1H-indol-3-yl]-BDBM50370681Q27272659
Show more names
(S)-1-((N-methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
Database identifiers
- CAS
444912-57-6- PubChem CID
- 11612272
- ChEMBL
CHEMBL1788276- UNII
- 9K67K5T7JE
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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