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VU0364572

CAT: 0013-GTR19233861-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233861-02Size:50 mg
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Description
VU0364572 TFA is a selective M1 muscarinic receptor allosteric agonist (EC50 = 0.11 μM) with oral bioavailability and CNS penetration. It has demonstrated neuroprotective effects in research models, showing potential to mitigate memory deficits and Alzheimer's-related pathology in both in vitro and in vivo studies.
CAS Number
1240514-87-7
Field of Research
Neuroscience
Smiles
N (C (=O) C1=C (C) C=CC=C1) [C@H]2CN (C3CCN (C (OCC) =O) CC3) CCC2
Molecular Formula
C21H31N3O3
Molecular Weight
373.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(R)-ethyl 3-(2-methylbenzamido)-1,4'-bipiperidine-1'-carboxylate
CAS Number1240514-87-7
PubChem CID57391102
IUPAC Nameethyl 4-[(3R)-3-[(2-methylbenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
Molecular FormulaC21H31N3O3
Molecular Weight373.5
XLogP3
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity505
SMILES
CCOC(=O)N1CCC(CC1)N2CCC[C@H](C2)NC(=O)C3=CC=CC=C3C
InChI
InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKey
NYDGEZQQIMDHCY-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of (R)-ethyl 3-(2-methylbenzamido)-1,4'-bipiperidine-1'-carboxylate
CAS: 1240514-87-7
CID: 57391102
Formula: C21H31N3O3
MW: 373.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass373.23654186
Monoisotopic Mass373.23654186
Topological Polar Surface Area61.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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