3-[4-({(tert-butoxycarbonyl)[(1R)-1-(1-naphthyl)ethyl]amino}methyl)-3-phenylpiperidin-1-yl]benzoic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C[C@H](c1cccc2ccccc12)N(CC1CCN(c2cccc(C(=O)O)c2)CC1c1ccccc1)C(=O)OC(C)(C)C- InChIKey
FMCCQHKKVFNZCY-AVYLVNEHSA-N- Molecular formula
- C36H40N2O4
- Average molar mass
- 564.7 g/mol
Names & identifiers
- Preferred name
- 3-[4-({(tert-butoxycarbonyl)[(1R)-1-(1-naphthyl)ethyl]amino}methyl)-3-phenylpiperidin-1-yl]benzoic acid
- IUPAC
- 3-[4-[[(2-methylpropan-2-yl)oxycarbonyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]benzoic acid
Names & synonyms
SCHEMBL1095501FMCCQHKKVFNZCY-AVYLVNEHSA-N3-[4-({(tert-butoxycarbonyl)[(1R)-1-(1-naphthyl)ethyl]amino}methyl)-3-phenylpiperidin-1-yl]benzoic acid
Database identifiers
- PubChem CID
- 66905947
Properties
Computed structural propertiesFilling in
- XLogP
- 7.7
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 895
Related reactions
2 records
Compound notes
Loading…