Basic information
- Standard SMILES
Cl.O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCC(c2noc3cc(F)ccc23)CC1- InChIKey
KIUDZOVNVZTWTR-AQDIUKAZSA-N- Molecular formula
- C24H31ClFN3O3
- Average molar mass
- 464 g/mol
- Monoisotopic mass
- 463.2037977
Names & identifiers
- Preferred name
- cis-2-[4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]butyl]hexahydro-1H-isoindole-1,3-dione hydrochloride
- IUPAC
- (3aR,7aS)-2-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
Names & synonyms
SCHEMBL1545261KIUDZOVNVZTWTR-AQDIUKAZSA-Ncis-2-[4-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]butyl]-hexahydro-1h-isoindole-1,3-dione hydrochloridecis-2-[4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]butyl]-hexahydro-1H-isoindole-l,3-dione hydrochloridecis-2-[4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]butyl]hexahydro -1H-isoindole-1,3-dione hydrochloridecis-2-[4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]butyl]hexahydro-1 H-isoindole-1,3-dione hydrochloridecis-2-[4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]butyl]hexahydro-1H-isoindole-1,3-dione hydrochloridecis-2-[4-[4-(6-Fluoro-1,2-benzisoxazol-3yl)-1-piperidinyl]butyl]hexahydro-1H-isoindole-1,3-dione hydrochloride
Database identifiers
- PubChem CID
- 67071030
Properties
Computed structural properties
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 644
Related reactions
71 records
Compound notes
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