1-(1H-Indol-3-yl)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-one
Basic information
- CAS
40281-38-7- Standard SMILES
CN1CCN(CC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1- InChIKey
NEYWCGJURRTMTC-UHFFFAOYSA-N- Molecular formula
- C22H25N3O
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.19976243
Names & identifiers
- Preferred name
- 1-(1H-Indol-3-yl)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-one
- IUPAC
- 1-(1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-one
- English name
- 1-(1H-Indol-3-yl)-3-(4-methyl-1-piperazinyl)-2-phenyl-1-propanone
- Molecular formula
- C22H25N3O
- Molecular weight
- 347.45
Names & synonyms
1-(1h-indol-3-yl)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-one40281-38-7DTXSID10960686RefChem:1053790DTXCID301388531BRN 0572724Indole, 3-(3-(4-methylpiperazinyl)-1-oxo-2-phenyl)propyl-Propanone, 1-(3-indolyl)-3-(4-methylpiperazinyl)-2-phenyl-1-(1H-Indol-3-yl)-3-(4-methyl-1-piperazinyl)-2-phenyl-1-propanone1-Propanone, 1-(1H-indol-3-yl)-3-(4-methyl-1-piperazinyl)-2-phenyl-
Database identifiers
- CAS
40281-38-7- PubChem CID
- 218148
- DTXSID
DTXSID10960686- Nikkaji
- J51.024F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 468
Physicochemical properties
- Boiling point
- 544.4 · 544.4±50.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- pka
- 15.34 · 15.34±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…