Basic information
- Standard SMILES
O=C(Nc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1- InChIKey
MFGAZEXFQHHYLA-UHFFFAOYSA-N- Molecular formula
- C19H21N3O3
- Average molar mass
- 339.4 g/mol
Names & identifiers
- Preferred name
- 4-(1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carboxamide
- IUPAC
- 4-(1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carboxamide
Names & synonyms
340220-96-4SMR000092081CBMicro_047757Cambridge id 6239959Oprea1_114662Oprea1_657700MLS000114753MLS002585462SCHEMBL3600828CHEMBL1585451MFGAZEXFQHHYLA-UHFFFAOYSA-NBDBM188478
Show more names
HMS1617A03HMS2266F094-(1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carboxamideUS9169224, B and B1STK8257644-Benzo[1,3]dioxol-5-ylmethyl-piperazine-1-carboxylic acid phenylamideAKOS000665744EBC-610286
Database identifiers
- PubChem CID
- 675027
- ChEMBL
CHEMBL1585451
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
4 records
Compound notes
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