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CTW0404

CAT: 0013-GTR19257642-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257642-01Size:10 mg
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Description
CTW0404 is an effective positive allosteric modulator (PAM) of the 5-HT receptor, with promising implications for research into neuropsychiatric disorders.
CAS Number
2913202-87-4
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C (NCCCN1CCOCC1) C2NCCC (CCC=3C=CC=CC3) C2
Molecular Formula
C21H33N3O2
Molecular Weight
359.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3-morpholin-4-ylpropyl)-4-(2-phenylethyl)piperidine-2-carboxamide
CAS Number2913202-87-4
PubChem CID167475118
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-(2-phenylethyl)piperidine-2-carboxamide
Molecular FormulaC21H33N3O2
Molecular Weight359.5
XLogP2.4
Topological Polar Surface Area53.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity406
SMILES
C1CNC(CC1CCC2=CC=CC=C2)C(=O)NCCCN3CCOCC3
InChI
InChI=1S/C21H33N3O2/c25-21(23-10-4-12-24-13-15-26-16-14-24)20-17-19(9-11-22-20)8-7-18-5-2-1-3-6-18/h1-3,5-6,19-20,22H,4,7-17H2,(H,23,25)
InChIKey
XBCWJBDQWUPSAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-morpholin-4-ylpropyl)-4-(2-phenylethyl)piperidine-2-carboxamide
CAS: 2913202-87-4
CID: 167475118
Formula: C21H33N3O2
MW: 359.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass359.25727730
Monoisotopic Mass359.25727730
Topological Polar Surface Area53.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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