3-O,5-O-diethyl 4-O-[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate
Basic information
- CAS
452299-84-2- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCC(C)CC1- InChIKey
WQPAJXKZFGBCAQ-UHFFFAOYSA-N- Molecular formula
- C22H32N2O7
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.22095136
Names & identifiers
- Preferred name
- 3-O,5-O-diethyl 4-O-[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate
- IUPAC
- 3-O,5-O-diethyl 4-O-[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate
Names & synonyms
SMR000067722Oprea1_0065883-O,5-O-diethyl 4-O-[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylateMLS000097442MLS001332926MLS002248865CHEMBL1898667DTXSID001322807HMS2338N17HMS3083A20AKOS033653397452299-84-2
Show more names
SMR001316323SR-01000057079SR-01000057079-1Z189912133,5-diethyl 4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate
Database identifiers
- CAS
452299-84-2- PubChem CID
- 2997634
- DTXSID
DTXSID001322807- ChEMBL
CHEMBL1898667
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 752
Experimental & physicochemical properties
Solubility15.9 [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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