4-(Tetrahydro-furan-3-ylmethoxy)-1H-indole-2-carboxylic acid {4-hydroxy-4-[2-((3S,4S)-4-hydroxy-3-methyl-piperidin-1-yl)-ethyl]-cyclohexyl}-amide
Basic information
- Standard SMILES
C[C@H]1CN(CCC2(O)CCC(NC(=O)c3cc4c(OCC5CCOC5)cccc4[nH]3)CC2)CC[C@@H]1O- InChIKey
NLPKUDJRJVLALN-MYCYEILISA-N- Molecular formula
- C28H41N3O5
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.30462142
Names & identifiers
- Preferred name
- 4-(Tetrahydro-furan-3-ylmethoxy)-1H-indole-2-carboxylic acid {4-hydroxy-4-[2-((3S,4S)-4-hydroxy-3-methyl-piperidin-1-yl)-ethyl]-cyclohexyl}-amide
- IUPAC
- N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-(oxolan-3-ylmethoxy)-1H-indole-2-carboxamide
Names & synonyms
SCHEMBL2316659SCHEMBL13519603NLPKUDJRJVLALN-MYCYEILISA-N4-(Tetrahydro-furan-3-ylmethoxy)-1H-indole-2-carboxylic acid {4-hydroxy-4-[2-((3S,4S)-4-hydroxy-3-methyl-piperidin-1-yl)-ethyl]-cyclohexyl}-amide
Database identifiers
- PubChem CID
- 25005161
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 730
Related reactions
1 records
Compound notes
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