Basic information
- Standard SMILES
COC(=O)[C@@H]1CCCN1C(=O)N1CCC(Nc2ccc(CC(OC)OC)cc2)CC1- InChIKey
FRNLZHSIIJLRQW-IBGZPJMESA-N- Molecular formula
- C22H33N3O5
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.24202116
Names & identifiers
- Preferred name
- Methyl (2S)-1-({4-[4-(2,2-dimethoxyethyl)anilino]-1-piperidinyl)carbonyl)-2-pyrrolidinecarboxylate
- IUPAC
- methyl (2S)-1-[4-[4-(2,2-dimethoxyethyl)anilino]piperidine-1-carbonyl]pyrrolidine-2-carboxylate
Names & synonyms
Methyl (2S)-1-({4-[4-(2,2-dimethoxyethyl)anilino]-1-piperidinyl)carbonyl)-2-pyrrolidinecarboxylatemethyl (2s)-1-({4-[4-(2,2-dimethoxyethyl)anilino]-1-piperidinyl}carbonyl)-2-pyrrolidinecarboxylateFRNLZHSIIJLRQW-IBGZPJMESA-N
Database identifiers
- PubChem CID
- 90751503
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 555
Related reactions
2 records
Compound notes
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