1,1-Dimethylethyl 3-[2-[2-cyano-5-ethyl-3-(3-methoxy-3-oxopropyl)-1-piperidinyl]ethyl]-1H-indole-1-carboxylate
Basic information
- CAS
98664-69-8- Standard SMILES
CCC1CC(CCC(=O)OC)C(C#N)N(CCc2cn(C(=O)OC(C)(C)C)c3ccccc23)C1- InChIKey
NAONEMZCWGCXCN-UHFFFAOYSA-N- Molecular formula
- C27H37N3O4
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.27840667
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 3-[2-[2-cyano-5-ethyl-3-(3-methoxy-3-oxopropyl)-1-piperidinyl]ethyl]-1H-indole-1-carboxylate
- IUPAC
- tert-butyl 3-[2-[2-cyano-5-ethyl-3-(3-methoxy-3-oxopropyl)piperidin-1-yl]ethyl]indole-1-carboxylate
Names & synonyms
1,1-Dimethylethyl 3-[2-[2-cyano-5-ethyl-3-(3-methoxy-3-oxopropyl)-1-piperidinyl]ethyl]-1H-indole-1-carboxylate98664-69-81,1-Dimethylethyl 3-(2-(2-cyano-5-ethyl-3-(3-methoxy-3-oxopropyl)-1-piperidinyl)ethyl)-1H-indole-1-carboxylateRefChem:213871DTXSID001108429
Database identifiers
- CAS
98664-69-8- PubChem CID
- 165367402
- DTXSID
DTXSID001108429
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 755
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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