N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
Basic information
- CAS
133025-23-7- Standard SMILES
COc1ccccc1N1CCN(CC(C(=O)NC(C)(C)C)c2ccccc2)CC1- InChIKey
UMTDAKAAYOXIKU-UHFFFAOYSA-N- Molecular formula
- C24H33N3O2
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.2572773
Overview
N-tert-butyl-3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-phenylpropanamide is a member of piperazines.
Names & identifiers
- Preferred name
- N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
- IUPAC
- N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
- English name
- (S)-N-tert-Butyl-3-(4-(2-methoxyphenyl)-piperazin-1-yl)-2-phenylpropanamide dihydrochloride
- Molecular formula
- C24H33N3O2
- Molecular weight
- 395.54
Names & synonyms
Way 100135133025-23-7DTXSID80927903N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide1-Piperazinepropanamide, N-(1,1-dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-RefChem:194772DTXCID90945012Way-100135N-tert-Butyl-3-(4-(2-methoxyphenyl)-piperazin-1-yl)-2-phenylpropanamideN-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamideway100135CHEMBL22564
Show more names
WAY 100478(S)-WAY1001352HCl(S)-WAY 100135 DIHYDROCHLORIDE1-Piperazinepropanamide, N-(1,1-dimethylethyl)-4-(2-methoxyphenyl)-α-phenyl-N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-α-phenyl-1-piperazinepropanamide (ACI)(S)-N-tert-Butyl-3-(4-(2-methoxyphenyl)-piperazin-1-yl)-2-phenylpropanamide dihydrochloride
WAY-100,135GTPL79orb1694884SCHEMBL2230435SCHEMBL29389745CHEBI:104131N-tert-Butyl-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-phenyl-propionamideBDBM50047472
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Melting point
- 183 °C · >183°C (dec.)
- Boiling point
- 582.8 · 582.8±50.0 °C(Predicted)
- Density
- 1.085 · 1.085
- storage temp.
- 4 °C · Desiccate at +4°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 15.63 · 15.63±0.46(Predicted)
- color
- White
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Applications
Uses(S)-WAY 100135 Dihydrochloride is a selective 5-HT1A receptor antagonist.
Additional notes
DefinitionChEBI: N-tert-butyl-3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-phenylpropanamide is a member of piperazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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