U 101958
Basic information
- CAS
170856-57-2- Standard SMILES
CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccccc2)CC1- InChIKey
WFLHEXUTTRRXFJ-UHFFFAOYSA-N- Molecular formula
- C21H29N3O
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.23106256
Overview
structure in first source
Names & identifiers
- Preferred name
- U 101958
- IUPAC
- N-(1-benzylpiperidin-4-yl)-N-methyl-3-propan-2-yloxypyridin-2-amine
- English name
- U 101958
- Molecular formula
- C21H29N3O
- Molecular weight
- 339.47446
Names & synonyms
U-101958U 101958U101958DTXSID40168956N-methyl-N-[1-(phenylmethyl)piperidin-4-yl]-3-propan-2-yloxypyridin-2-amineN-methyl-N-(1-(phenylmethyl)piperidin-4-yl)-3-propan-2-yloxypyridin-2-amineRefChem:192777DTXCID40914473-Isopropoxy-N-methyl-N-(1-(phenylmethyl)-4-piperidinyl)-2-pyridinylamineCHEMBL64119NCGC00016072-01Lopac-U-115
Show more names
Lopac0_001276GTPL5781SCHEMBL8406537CHEMBL1179189BDBM50071208CCG-205349PNU 101958SDCCGSBI-0051242.P002
Database identifiers
- CAS
170856-57-2- PubChem CID
- 5615
- DTXSID
DTXSID40168956- ChEMBL
CHEMBL1179189、CHEMBL64119- Nikkaji
- J829.152G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 28.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 375
Chemistry & industry
Applications
DescriptionU 101958 is a putative antipsychotic agent It is also a highly selective dopamine D4 receptor antagonist.
UsesU 101958 is full Dopamine D4 receptor agonist, with a pEC50 of 8.7 in HEK293/D4 cells [1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…