Basic information
- Standard SMILES
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCCC(=O)NC)c2cccc(Cl)c2)C1- InChIKey
RDLWPZRARUAMKF-NIYJGHKDSA-N- Molecular formula
- C28H45ClN4O3
- Average molar mass
- 521.1 g/mol
- Monoisotopic mass
- 520.318019
Names & identifiers
- Preferred name
- (R)-3-((R)-(3-chlorophenyl)(4-(methylamino)-4-oxobutoxy)methyl)-N-((S)-1-cyclohexyl-3-(methylamino)propan-2-yl)piperidine-1-carboxamide
- IUPAC
- (3R)-3-[(R)-(3-chlorophenyl)-[4-(methylamino)-4-oxobutoxy]methyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
Names & synonyms
SCHEMBL3605838RDLWPZRARUAMKF-NIYJGHKDSA-N(R)-3-((R)-(3-chlorophenyl)(4-(methylamino)-4-oxobutoxy)methyl)-N-((S)-1-cyclohexyl-3-(methylamino)propan-2-yl)piperidine-1-carboxamide
Database identifiers
- PubChem CID
- 59201494
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 661
Related reactions
1 records
Compound notes
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