N-(benzo[d][1,3]dioxol-5-yl)-1-(benzo[d]thiazol-2-yl)piperidine-3-carboxamide
Basic information
- CAS
606106-96-1- Standard SMILES
O=C(Nc1ccc2c(c1)OCO2)C1CCCN(c2nc3ccccc3s2)C1- InChIKey
RHVUWIIHNZIAMU-UHFFFAOYSA-N- Molecular formula
- C20H19N3O3S
- Average molar mass
- 381.4 g/mol
Names & identifiers
- Preferred name
- N-(benzo[d][1,3]dioxol-5-yl)-1-(benzo[d]thiazol-2-yl)piperidine-3-carboxamide
- IUPAC
- N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
- English name
- 3-Piperidinecarboxamide,N-1,3-benzodioxol-5-yl-1-(2-benzothiazolyl)-(9CI)
- Molecular formula
- C20H19N3O3S
- Molecular weight
- 381.45
Names & synonyms
SMR000007199MLS000073752CHEMBL1505916HMS2463H11ZINC04354304F6389-34721-Benzothiazol-2-yl-piperidine-3-carboxylic acid benzo[1,3]dioxol-5-ylamideN-(benzo[d][1,3]dioxol-5-yl)-1-(benzo[d]thiazol-2-yl)piperidine-3-carboxamide3-Piperidinecarboxamide, N-1,3-benzodioxol-5-yl-1-(2-benzothiazolyl)-3-Piperidinecarboxamide,N-1,3-benzodioxol-5-yl-1-(2-benzothiazolyl)-(9CI)
Database identifiers
- CAS
606106-96-1- ChEMBL
CHEMBL1505916
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 551
Physicochemical properties
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- pka
- 13.33 · 13.33±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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