Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccsc4)cc23)CC1- InChIKey
KQDJRYJQMNKFGS-UHFFFAOYSA-N- Molecular formula
- C23H27N3O3S
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.17731291
Names & identifiers
- Preferred name
- 1,1-dimethylethyl 4-[7-(aminocarbonyl)-5-(3-thienyl)-1H-indol-3-yl]-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-(7-carbamoyl-5-thiophen-3-yl-1H-indol-3-yl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL3800446KQDJRYJQMNKFGS-UHFFFAOYSA-N1,1-dimethylethyl 4-[7-(aminocarbonyl)-5-(3-thienyl)-1H-indol-3-yl]-1-piperidinecarboxylate
Database identifiers
- PubChem CID
- 59600655
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 644
Related reactions
2 records
Compound notes
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