Basic information
- CAS
26844-29-1- Standard SMILES
O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc2c(c1)OCO2- InChIKey
BJHUKNULFNAXHV-UHFFFAOYSA-N- Molecular formula
- C23H25N3O3
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.18959167
Names & identifiers
- Preferred name
- Piperonylamide, N-(1-(2-indol-3-ylethyl)-4-piperidyl)-
- IUPAC
- N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
Names & synonyms
BRN 0500546N-(1-(2-Indol-3-ylethyl)-4-piperidyl)piperonylamide26844-29-1Piperonylamide, N-(1-(2-indol-3-ylethyl)-4-piperidyl)-RefChem:373533DTXSID90949631N-{1-[2-(1H-Indol-3-yl)ethyl]piperidin-4-yl}-2H-1,3-benzodioxole-5-carboximidic acid
Database identifiers
- CAS
26844-29-1- PubChem CID
- 213632
- DTXSID
DTXSID90949631
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…