Basic information
- Standard SMILES
COc1ccc(/C(C#N)=C/c2ccc(N3CCC(C4CCCCN4C4CCN(C(=O)O)CC4)CC3)s2)cc1OC.Cl- InChIKey
ZZDXWVAFYVJLPQ-UUWMJBOLSA-N- Molecular formula
- C31H41ClN4O4S
- Average molar mass
- 601.2 g/mol
Names & identifiers
- Preferred name
- 1-[5-[(Z)-2-cyano-2-(3,4-dimethoxy-phenyl)-vinyl]-thiophen-2-yl]-piperidin-4-yl[1,4']bipiperidinyl-1'-carboxylate hydrochloride
- IUPAC
- 4-[2-[1-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]thiophen-2-yl]piperidin-4-yl]piperidin-1-yl]piperidine-1-carboxylic acid;hydrochloride
Names & synonyms
SCHEMBL1960708ZZDXWVAFYVJLPQ-UUWMJBOLSA-N1-[5-[(Z)-2-cyano-2-(3,4-dimethoxy-phenyl)-vinyl]-thiophen-2-yl]-piperidin-4-yl[1,4']bipiperidinyl-1'-carboxylate hydrochloride
Database identifiers
- PubChem CID
- 67228528
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 924
Related reactions
1 records
Compound notes
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