Basic information
- Standard SMILES
Cn1c(=O)c(CNCC(c2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)cc2ccccc21- InChIKey
QUALZUPPJNPIOK-UHFFFAOYSA-N- Molecular formula
- C29H37N3O3
- Average molar mass
- 475.6 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-{[(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-1-phenylethyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[2-[(1-methyl-2-oxoquinolin-3-yl)methylamino]-1-phenylethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2406121QUALZUPPJNPIOK-UHFFFAOYSA-Ntert-butyl 4-(2-{[(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-1-phenylethyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 58415941
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 760
Related reactions
4 records
Compound notes
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