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Basic information
- Standard SMILES
COCCCNc1cc(C(C)C)ncc1C(=O)N(CC(C)C)[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1- InChIKey
AUQBKVNUJYHPNS-RPBOFIJWSA-N- Molecular formula
- C32H53N5O6
- Average molar mass
- 603.8 g/mol
- Monoisotopic mass
- 603.39958443
Names & identifiers
- Preferred name
- tert-butyl (3S,5R)-3-[({4-[(3-methoxypropyl)amino]-6-(1-methylethyl)pyridin-3-yl}carbonyl)(2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3S,5R)-3-[[4-(3-methoxypropylamino)-6-propan-2-ylpyridine-3-carbonyl]-(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL12992428AUQBKVNUJYHPNS-RPBOFIJWSA-Ntert-butyl (3S,5R)-3-[({4-[(3-methoxypropyl)amino]-6-(1-methylethyl)pyridin-3-yl}carbonyl)(2-methylpropyl)amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 59625537
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 903
Related reactions
2 records
Compound notes
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