Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CN2CCN(C(=O)OCc3ccccc3)CC2=O)CC1- InChIKey
RMEZNFXQDCINNS-UHFFFAOYSA-N- Molecular formula
- C23H33N3O5
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.24202116
Names & identifiers
- Preferred name
- 4-(1-Tert-butoxycarbonyl-piperidin-4-ylmethyl)-3-oxo-piperazine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylate
Names & synonyms
SCHEMBL4385886RMEZNFXQDCINNS-UHFFFAOYSA-N4-(1-tert-butoxycarbonyl-piperidin-4-ylmethyl)-3-oxo-piperazine-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 23447356
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 634
Related reactions
4 records
Compound notes
Loading…