AC-90179
Basic information
- CAS
359878-17-4- Standard SMILES
COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C)CC2)cc1- InChIKey
AHGNJBSTWQOSAB-UHFFFAOYSA-N- Molecular formula
- C23H30N2O2
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.2307282
Overview
an inverse agonist and competitive antagonist of 5HT(2A) receptors; structure in first source
Names & identifiers
- Preferred name
- AC-90179
- IUPAC
- 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide
Names & synonyms
AC-90179359878-17-4H0EVX3PS4B2-(4-Methoxyphenyl)-N-(4-methylbenzyl)-N-(1-methylpiperidin-4-yl)acetamide2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamideBenzeneacetamide, 4-methoxy-N-((4-methylphenyl)methyl)-N-(1-methyl-4-piperidinyl)-AC90179AC 901792-(4-methoxyphenyl)-N-((4-methylphenyl)methyl)-N-(1-methylpiperidin-4-yl)acetamideRefChem:108637UNII-H0EVX3PS4BAHGNJBSTWQOSAB-UHFFFAOYSA-N
Show more names
GTPL174SCHEMBL341145BDBM86496N-(4-Methylbenzyl)-N-(1-methyl-4-piperidinyl)-4-methoxybenzeneacetamideQ270741402-(4-methoxyphenyl)-n-(4-methylbenzyl)-n-(1-methylpiperidin4-yl) acetamide2-(4-Methoxyphenyl)-N-(4-methylbenzyl)-N-(1-methylpiperidin-4-yl) acetamide
Database identifiers
- CAS
359878-17-4- PubChem CID
- 9799308
- UNII
- H0EVX3PS4B
- Nikkaji
- J1.617.829B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 445
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to but do not activate SEROTONIN 5-HT2 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT2 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more specific 5-HT2 receptor subtypes.
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Related reactions
2 records
Compound notes
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