2-Chloro-5-Piperazin-1-yl-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide
Basic information
- Standard SMILES
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(N2CCNCC2)ccc1Cl- InChIKey
SZEATWKNDKWXLO-UHFFFAOYSA-N- Molecular formula
- C22H30ClN3O
- Average molar mass
- 387.9 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-5-Piperazin-1-yl-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide
- IUPAC
- N-(1-adamantylmethyl)-2-chloro-5-piperazin-1-ylbenzamide
Names & synonyms
CHEMBL393717SCHEMBL7656374SZEATWKNDKWXLO-UHFFFAOYSA-NBDBM504114312-Chloro-5-Piperazin-1-yl-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide
Database identifiers
- PubChem CID
- 9908306
- ChEMBL
CHEMBL393717
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 520
Related reactions
2 records
Compound notes
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