2-Piperazinecarboxylic acid, 1,4-bis(3,4,5-trimethoxybenzoyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
Basic information
- CAS
129477-59-4- Standard SMILES
COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(C(=O)OC3CC(C)CCC3C(C)C)C2)cc(OC)c1OC- InChIKey
CLWISFKUJSYGNP-UHFFFAOYSA-N- Molecular formula
- C35H48N2O10
- Average molar mass
- 656.8 g/mol
- Monoisotopic mass
- 656.33089573
Names & identifiers
- Preferred name
- 2-Piperazinecarboxylic acid, 1,4-bis(3,4,5-trimethoxybenzoyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
- IUPAC
- (5-methyl-2-propan-2-ylcyclohexyl) 1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate
Names & synonyms
129477-59-42-Piperazinecarboxylic acid, 1,4-bis(3,4,5-trimethoxybenzoyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl esterRefChem:1064194N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-(2'-isopropyl-5'-methyl)cyclohexyloxycarbonylpiperazineSCHEMBL10459713DTXSID409264175-Methyl-2-(propan-2-yl)cyclohexyl 1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate
Database identifiers
- CAS
129477-59-4- PubChem CID
- 3075974
- DTXSID
DTXSID40926417
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…