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J 104129 fumarate

CAT: 0013-GTR19201217-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201217-01Size:25 mg
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Description
This small molecule is a selective antagonist of the M3 muscarinic acetylcholine receptor. It is a valuable research tool for investigating cholinergic signaling in pulmonary, gastrointestinal, and urological systems, applicable in both in vitro binding assays and in vivo functional studies.
CAS Number
244277-89-2
Field of Research
Neuroscience
Smiles
[C@@] (C (NC1CCN (CCC=C (C) C) CC1) =O) (O) (C2CCCC2) C3=CC=CC=C3
Molecular Formula
C24H36N2O2
Molecular Weight
384.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R)-2-cyclopentyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)-4-piperidinyl]-2-phenylacetamide

(2R)-2-cyclopentyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)-4-piperidinyl]-2-phenylacetamide is a member of acetamides.

CAS Number244277-89-2
PubChem CID9821459
IUPAC Name(2R)-2-cyclopentyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
Molecular FormulaC24H36N2O2
Molecular Weight384.6
XLogP4.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity523
SMILES
CC(=CCCN1CCC(CC1)NC(=O)[C@@](C2CCCC2)(C3=CC=CC=C3)O)C
InChI
InChI=1S/C24H36N2O2/c1-19(2)9-8-16-26-17-14-22(15-18-26)25-23(27)24(28,21-12-6-7-13-21)20-10-4-3-5-11-20/h3-5,9-11,21-22,28H,6-8,12-18H2,1-2H3,(H,25,27)/t24-/m0/s1
InChIKey
YECZUVJTDYORCB-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-cyclopentyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)-4-piperidinyl]-2-phenylacetamide
CAS: 244277-89-2
CID: 9821459
Formula: C24H36N2O2
MW: 384.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass384.277678395
Monoisotopic Mass384.277678395
Topological Polar Surface Area52.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity523
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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