Basic information
- CAS
606119-46-4- Standard SMILES
Cc1ccc2c(c1)N(CC(=O)N1CCCC(C)C1)C(=O)CO2- InChIKey
MPFHCVDZGYTNDB-UHFFFAOYSA-N- Molecular formula
- C17H22N2O3
- Average molar mass
- 302.37 g/mol
Names & identifiers
- Preferred name
- 6-Methyl-4-[2-(3-methyl-piperidin-1-yl)-2-oxo-ethyl]-4H-benzo[1,4]oxazin-3-one
- IUPAC
- 6-methyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
- English name
- Piperidine, 1-[(2,3-dihydro-6-methyl-3-oxo-4H-1,4-benzoxazin-4-yl)acetyl]-3-methyl- (9CI)
- Molecular formula
- C17H22N2O3
- Molecular weight
- 302.37
Names & synonyms
MLS001217882CHEMBL1704008HMS2910N11AKOS000758892AKOS0408287046-Methyl-4-[2-(3-methyl-piperidin-1-yl)-2-oxo-ethyl]-4H-benzo[1,4]oxazin-3-one606119-46-4SMR000602148DB-288791SR-01000344378SR-01000344378-1PIPERIDINE, 1-[(2,3-DIHYDRO-6-METHYL-3-OXO-4H-1,4-BENZOXAZIN-4-YL)ACETYL]-3-METHYL-
Show more names
2H-1,4-Benzoxazin-3(4H)-one, 6-methyl-4-[2-(3-methyl-1-piperidinyl)-2-oxoethyl]-Piperidine, 1-[(2,3-dihydro-6-methyl-3-oxo-4H-1,4-benzoxazin-4-yl)acetyl]-3-methyl- (9CI)
Database identifiers
- CAS
606119-46-4- ChEMBL
CHEMBL1704008
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
Experimental & physicochemical properties
Solubility45.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 565.5 · 565.5±50.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- pka
- 1.38 · 1.38±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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