Basic information
- Standard SMILES
COC(=O)N1CCC(N2CCC(n3c(=O)n(C(C)=O)c4ccccc43)CC2)CC1- InChIKey
KJDGADRITYBWPJ-UHFFFAOYSA-N- Molecular formula
- C21H28N4O4
- Average molar mass
- 400.5 g/mol
Names & identifiers
- Preferred name
- 1-[1-(1-methoxycarbonylpiperidin-4-yl)-piperidin-4-yl]-3-acetyl-1,3-dihydro-2H-benzimidazol-2-one
- IUPAC
- methyl 4-[4-(3-acetyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL6580420KJDGADRITYBWPJ-UHFFFAOYSA-N1-[1-(1-methoxycarbonylpiperidin-4-yl)-piperidin-4-yl]-3-acetyl-1,3-dihydro-2H-benzimidazol-2-one
Database identifiers
- PubChem CID
- 9887232
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 641
Related reactions
2 records
Compound notes
Loading…