Basic information
- CAS
1189924-81-9- Standard SMILES
COc1cccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(Br)cc3F)CC2)c1- InChIKey
YWERVKHDKJGHMA-UHFFFAOYSA-N- Molecular formula
- C22H25BrFN3O3
- Average molar mass
- 478.4 g/mol
- Monoisotopic mass
- 477.10633
Names & identifiers
- Preferred name
- N~1~-(4-bromo-2-fluorophenyl)-N~4~-(3-methoxybenzyl)-4-methylpiperidine-1,4-dicarboxamide
- IUPAC
- 1-N-(4-bromo-2-fluorophenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
Names & synonyms
1189924-81-9N~1~-(4-Bromo-2-fluorophenyl)-N~4~-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamideN~1~-(4-bromo-2-fluorophenyl)-N~4~-(3-methoxybenzyl)-4-methylpiperidine-1,4-dicarboxamideDTXSID401118860AKOS0216495401-N-(4-bromo-2-fluorophenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamideN1-(4-Bromo-2-fluorophenyl)-N4-[(3-methoxyphenyl)methyl]-4-methyl-1,4-piperidinedicarboxamideN1-(4-BROMO-2-FLUOROPHENYL)-N4-[(3-METHOXYPHENYL)METHYL]-4-METHYLPIPERIDINE-1,4-DICARBOXAMIDE
Database identifiers
- CAS
1189924-81-9- PubChem CID
- 52999080
- DTXSID
DTXSID401118860
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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