Basic information
- CAS
690211-68-8- Standard SMILES
Cc1ccccc1NC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1- InChIKey
QNNLGBCCFHQRNE-UHFFFAOYSA-N- Molecular formula
- C20H23N3O3
- Average molar mass
- 353.4 g/mol
Names & identifiers
- Preferred name
- 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylphenyl)piperazine-1-carboxamide
- IUPAC
- 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylphenyl)piperazine-1-carboxamide
- English name
- (4-(Benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl)-N-(2-methylphenyl)formamide
- Molecular formula
- C20H23N3O3
- Molecular weight
- 353.42
Names & synonyms
690211-68-8(4-(BENZO[3,4-D]1,3-DIOXOLEN-5-YLMETHYL)PIPERAZINYL)-N-(2-METHYLPHENYL)FORMAMIDE4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylphenyl)piperazine-1-carboxamide4-(Benzo[d][1,3]dioxol-5-ylmethyl)-N-(o-tolyl)piperazine-1-carboxamideMFCD02681204Oprea1_272126QCB21168AKOS022170552MS-99444-(1,3-benzodioxol-5-ylmethyl)-N-(o-tolyl)piperazine-1-carboxamide4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide1-Piperazinecarboxamide, 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylphenyl)-
Database identifiers
- CAS
690211-68-8
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 548.3 · 548.3±50.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- pka
- 13.95 · 13.95±0.70(Predicted)
Chemistry & industry
Suppliers4 total
Key Organics Ltd.[email protected]
MENAI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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