2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride
Basic information
- CAS
59384-75-7- Standard SMILES
Cn1c(=O)oc2cc(C(=O)CC[NH+]3CCCCC3)ccc21.[Cl-]- InChIKey
LGYDYIOFKKOACU-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O3
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.1240702
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 3-methyl-6-(3-piperidinopropionyl)-, hydrochloride
- IUPAC
- 3-methyl-6-(3-piperidin-1-ium-1-ylpropanoyl)-1,3-benzoxazol-2-one chloride
Names & synonyms
59384-75-73-Methyl-6-(3-piperidinopropionyl)-2-benzoxazolinone hydrochloride2-BENZOXAZOLINONE, 3-METHYL-6-(3-PIPERIDINOPROPIONYL)-, HYDROCHLORIDERefChem:2564253-Methyl-6-(3-(piperidin-1-yl)propanoyl)benzo[d]oxazol-2(3H)-one hydrochloride
Database identifiers
- CAS
59384-75-7- PubChem CID
- 43020
Properties
Computed structural properties
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…