Basic information
- Standard SMILES
COc1ccc(N2CCN(C(=O)CNC(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1- InChIKey
RJGSLDXNMDTCNL-DEOSSOPVSA-N- Molecular formula
- C30H41N3O5
- Average molar mass
- 523.7 g/mol
- Monoisotopic mass
- 523.30462142
Names & identifiers
- Preferred name
- {2-[(S)-2-Benzyl-4-(3-cyclopentyloxy-4-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]carbamate
Names & synonyms
SCHEMBL873983RJGSLDXNMDTCNL-DEOSSOPVSA-N{2-[(S)-2-Benzyl-4-(3-cyclopentyloxy-4-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66824974
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 759
Related reactions
2 records
Compound notes
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