ethyl 2-[1-benzoyl-2-(1H-indol-3-ylmethyl)-3-oxopiperidin-4-yl]acetate
Basic information
- CAS
30338-69-3- Standard SMILES
CCOC(=O)CC1CCN(C(=O)c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O- InChIKey
DVHYWVRDMCMVPR-UHFFFAOYSA-N- Molecular formula
- C25H26N2O4
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.18925731
Names & identifiers
- Preferred name
- ethyl 2-[1-benzoyl-2-(1H-indol-3-ylmethyl)-3-oxopiperidin-4-yl]acetate
- IUPAC
- ethyl 2-[1-benzoyl-2-(1H-indol-3-ylmethyl)-3-oxopiperidin-4-yl]acetate
Names & synonyms
30338-69-3NSC152545DTXSID90952685NSC-152545Ethyl {1-benzoyl-2-[(1H-indol-3-yl)methyl]-3-oxopiperidin-4-yl}acetate
Database identifiers
- CAS
30338-69-3- PubChem CID
- 289996
- DTXSID
DTXSID90952685
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 660
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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