Basic information
- CAS
26844-22-4- Standard SMILES
COc1cc(C(=O)NC2CCN(CCc3c[nH]c4ccccc34)CC2)cc(OC)c1OC- InChIKey
DEOJPEKIPRWBQP-UHFFFAOYSA-N- Molecular formula
- C25H31N3O4
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 437.23145648
Names & identifiers
- Preferred name
- Benzamide, N-(1-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)-3,4,5-trimethoxy-, hydrate
- IUPAC
- N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
Names & synonyms
N-(1-(2-(1H-Indol-3-yl)ethyl)-4-piperidinyl)-3,4,5-trimethoxybenzamide hydrate26844-22-4Benzamide, N-(1-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)-3,4,5-trimethoxy-, hydrateRefChem:322097DTXSID30949630N-{1-[2-(1H-Indol-3-yl)ethyl]piperidin-4-yl}-3,4,5-trimethoxybenzene-1-carboximidic acid
Database identifiers
- CAS
26844-22-4- PubChem CID
- 213625
- DTXSID
DTXSID30949630
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 584
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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