Basic information
- CAS
6532-18-9- Standard SMILES
O=C1C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21- InChIKey
PXUXTGVNHPHAHZ-UHFFFAOYSA-N- Molecular formula
- C19H19N3O2
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.14772686
Names & identifiers
- Preferred name
- 1-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-2,3-dione
- IUPAC
- 1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione
Names & synonyms
6532-18-91-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-2,3-dione1H-Indole-2,3-dione, 1-[(4-phenyl-1-piperazinyl)methyl]-1-((4-phenylpiperazin-1-yl)methyl)indoline-2,3-dione1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dioneCHEMBL3622157DTXSID10344902PXUXTGVNHPHAHZ-UHFFFAOYSA-NSTK215775AKOS000676681N-(N'-phenyl-piperazinomethyl) isatinST50224544
Show more names
Z44098816F0236-0007Indole-2,3-dione, 1-(4-phenyl-1-piperazinylmethyl)-1-[(4-phenylpiperazinyl)methyl]benzo[d]azoline-2,3-dione1-[(4-Phenyl-1-piperazinyl)methyl]-1H-indole-2,3-dione #
Database identifiers
- CAS
6532-18-9- PubChem CID
- 600259
- DTXSID
DTXSID10344902- ChEMBL
CHEMBL3622157
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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