Basic information
- Standard SMILES
COc1cc(CCC(=O)N2CCN(CC(=O)O)CC2)cc(OC)c1OC- InChIKey
OJLQKINRVGWCRN-UHFFFAOYSA-N- Molecular formula
- C18H26N2O6
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.17908655
Names & identifiers
- Preferred name
- {4-[3-(3,4,5-Trimethoxy-phenyl)-propionyl]piperazin-1-yl}-acetic acid
- IUPAC
- 2-[4-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
Names & synonyms
SCHEMBL1617330OJLQKINRVGWCRN-UHFFFAOYSA-N{4-[3-(3,4,5-Trimethoxy-phenyl)-propionyl]-piperazin-1-yl}-acetic acid{4-[3-(3,4,5-Trimethoxy-phenyl)-propionyl]piperazin-1-yl}-acetic acid
Database identifiers
- PubChem CID
- 59785715
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
Related reactions
4 records
Linked notes
Loading…