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Basic information
- Standard SMILES
C[C@H]1CN([C@@H](C)CN2CCC(NC(=O)c3cc4c(OCC5CC5)cccc4[nH]3)CC2)CC[C@@H]1O- InChIKey
SNPBJFVICXPJHF-MHPIHPPYSA-N- Molecular formula
- C27H40N4O3
- Average molar mass
- 468.6 g/mol
- Monoisotopic mass
- 468.31004115
Names & identifiers
- Preferred name
- 4-Cyclopropylmethoxy-1H-indole-2-carboxylic acid {1-[(S)-2-((3S,4S)-4-hydroxy-3-methyl-piperidin-1-yl)-propyl]-piperidin-4-yl}-amide
- IUPAC
- 4-(cyclopropylmethoxy)-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide
Names & synonyms
SCHEMBL914315SNPBJFVICXPJHF-MHPIHPPYSA-N4-Cyclopropylmethoxy-1H-indole-2-carboxylic acid {1-[(S)-2-((3S,4S)-4-hydroxy-3-methyl-piperidin-1-yl)-propyl]-piperidin-4-yl}-amide
Database identifiers
- PubChem CID
- 59600232
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 681
Related reactions
2 records
Compound notes
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