Basic information
- Standard SMILES
O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)C1CCCCC1- InChIKey
AULWQIXLYRHZTL-UHFFFAOYSA-N- Molecular formula
- C21H31N3O3
- Average molar mass
- 373.5 g/mol
- Monoisotopic mass
- 373.23654186
Names & identifiers
- Preferred name
- Cyclohexanecarboxylic acid {2-[4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-]ethyl}-amide
- IUPAC
- N-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
Names & synonyms
CHEMBL93421AULWQIXLYRHZTL-UHFFFAOYSA-NBDBM50039821Cyclohexanecarboxylic acid {2-[4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-]ethyl}-amideCyclohexanecarboxylic acid {2-[4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-ethyl}-amide
Database identifiers
- PubChem CID
- 9799670
- ChEMBL
CHEMBL93421- Nikkaji
- J602.146H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 475
Related reactions
1 records
Compound notes
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