1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic Acid
Basic information
- CAS
436093-10-6- Standard SMILES
COc1cc(OC)cc(C(=O)N2CCCC(C(=O)O)C2)c1- InChIKey
QQAAGXVQRSNYTM-UHFFFAOYSA-N- Molecular formula
- C15H19NO5
- Average molar mass
- 293.31 g/mol
- Monoisotopic mass
- 293.12632271
Names & identifiers
- Preferred name
- 1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic Acid
- IUPAC
- 1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
- English name
- 1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
- Molecular formula
- C15H19NO5
- Molecular weight
- 293.32
Names & synonyms
1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic Acid436093-10-6Oprea1_018753Oprea1_138592DTXSID201220596AKOS000129199AKOS0163836571-(3,5-Dimethoxybenzoyl)-3-piperidinecarboxylic acidZ858938943-Piperidinecarboxylic acid, 1-(3,5-dimethoxybenzoyl)-
Database identifiers
- CAS
436093-10-6- PubChem CID
- 4713639
- DTXSID
DTXSID201220596
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Boiling point
- 525.6 · 525.6±50.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- pka
- 4.29 · 4.29±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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