Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(Cc1ccc2c(N)nccc2c1)C(=O)N1CCCCC1- InChIKey
UAKLZIDLURQUIP-UHFFFAOYSA-N- Molecular formula
- C22H30N4O3
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl-carbamate
- IUPAC
- tert-butyl N-[3-(1-aminoisoquinolin-6-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate
Names & synonyms
SCHEMBL6437958UAKLZIDLURQUIP-UHFFFAOYSA-N1,1-Dimethylethyl 1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl-carbamate
Database identifiers
- PubChem CID
- 22665607
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 571
Related reactions
25 records
Compound notes
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