(1R,3S)-3-((S)-2-benzyl-4-(3-(cyclopentyloxy)-4-methoxyphenyl)piperazine-1-carbonyl)cyclopentanecarboxylic acid
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Basic information
- Standard SMILES
COc1ccc(N2CCN(C(=O)[C@H]3CC[C@@H](C(=O)O)C3)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1- InChIKey
SJLVKDUBEDCSMX-ARNLJNQMSA-N- Molecular formula
- C30H38N2O5
- Average molar mass
- 506.6 g/mol
Names & identifiers
- Preferred name
- (1R,3S)-3-((S)-2-benzyl-4-(3-(cyclopentyloxy)-4-methoxyphenyl)piperazine-1-carbonyl)cyclopentanecarboxylic acid
- IUPAC
- cis-(1R,3S)-3-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
Names & synonyms
SCHEMBL2142292SJLVKDUBEDCSMX-ARNLJNQMSA-N(1R,3S)-3-((S)-2-benzyl-4-(3-(cyclopentyloxy)-4-methoxyphenyl)piperazine-1-carbonyl)cyclopentanecarboxylic acid
Database identifiers
- PubChem CID
- 52918655
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 765
Related reactions
1 records
Compound notes
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