Basic information
- CAS
478049-89-7- Standard SMILES
COc1ccc(N2C(=O)C(CN3CCCCC3)C2c2ccccc2)cc1- InChIKey
LLCAMQMPRIAKTP-UHFFFAOYSA-N- Molecular formula
- C22H26N2O2
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.19942808
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-4-phenyl-3-(piperidinomethyl)-2-azetanone
- IUPAC
- 1-(4-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one
Names & synonyms
478049-89-71-(4-methoxyphenyl)-4-phenyl-3-(piperidinomethyl)-2-azetanone1-(4-methoxyphenyl)-4-phenyl-3-[(piperidin-1-yl)methyl]azetidin-2-one1-(4-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-oneOprea1_467040MLS000721059CHEMBL1876604DTXSID701325745HMS2698H10AKOS0050939725N-526SSMR000335247
Database identifiers
- CAS
478049-89-7- PubChem CID
- 5187635
- DTXSID
DTXSID701325745- ChEMBL
CHEMBL1876604
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 463
Experimental & physicochemical properties
Solubility51.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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