3-(2,5-Dimethyl-phenyl)-4-hydroxy-5-(1-methoxy-piperidin-4-ylmethyl)-1,5-dihydro-pyrrol-2-one
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Basic information
- Standard SMILES
CON1CCC(CC2NC(=O)C(c3cc(C)ccc3C)=C2O)CC1- InChIKey
MWHBPILZYDJPPB-UHFFFAOYSA-N- Molecular formula
- C19H26N2O3
- Average molar mass
- 330.4 g/mol
Names & identifiers
- Preferred name
- 3-(2,5-Dimethyl-phenyl)-4-hydroxy-5-(1-methoxy-piperidin-4-ylmethyl)-1,5-dihydro-pyrrol-2-one
- IUPAC
- 4-(2,5-dimethylphenyl)-3-hydroxy-2-[(1-methoxypiperidin-4-yl)methyl]-1,2-dihydropyrrol-5-one
Names & synonyms
SCHEMBL12505906MWHBPILZYDJPPB-UHFFFAOYSA-N3-(2,5-dimethyl-phenyl)-4-hydroxy-5-(1-methoxy-piperidin-4-ylmethyl)-1,5-dihydro-pyrrol-2-one
Database identifiers
- PubChem CID
- 68299239
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Related reactions
2 records
Compound notes
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