Basic information
- Standard SMILES
CCC(=O)N[C@@H](CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1- InChIKey
BJUPPEJQUJMSIS-VWLOTQADSA-N- Molecular formula
- C27H37N3O2
- Average molar mass
- 435.6 g/mol
- Monoisotopic mass
- 435.28857743
Names & identifiers
- Preferred name
- 2-methyl-N-(3-{1-[(3S)-3-phenyl-3-(propionylamino)propyl]-4-piperidinyl}phenyl)propanamide
- IUPAC
- 2-methyl-N-[3-[1-[(3S)-3-phenyl-3-(propanoylamino)propyl]piperidin-4-yl]phenyl]propanamide
Names & synonyms
SCHEMBL5659460BJUPPEJQUJMSIS-VWLOTQADSA-N2-methyl-N-(3-{1-[(3S)-3-phenyl-3-(propionylamino)propyl]-4-piperidinyl}phenyl)propanamide
Database identifiers
- PubChem CID
- 20722976
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 579
Related reactions
2 records
Compound notes
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