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Piperylone

CAT: 0931-T12533-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T12533-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2531-04-6
Target
Others
Related Pathways
Others
Purity
0.9994
Bioactivity
Piperylone (PR66) has anti-spasmodic, analgesic, anti-inflammatory and antipyretic activities.
Smiles
O=C1C(=C(NN1C2CCN(C)CC2)C=3C=CC=CC3)CC
Molecular Formula
C17H23N3O
Molecular Weight
285.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Piperylone

Piperylone is a small molecule drug. Piperylone has a monoisotopic molecular weight of 285.18 Da.

CAS Number2531-04-6
PubChem CID17319
IUPAC Name4-ethyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one
Molecular FormulaC17H23N3O
Molecular Weight285.4
XLogP3
Topological Polar Surface Area35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity418
SMILES
CCC1=C(NN(C1=O)C2CCN(CC2)C)C3=CC=CC=C3
InChI
InChI=1S/C17H23N3O/c1-3-15-16(13-7-5-4-6-8-13)18-20(17(15)21)14-9-11-19(2)12-10-14/h4-8,14,18H,3,9-12H2,1-2H3
InChIKey
LBFGQUCAQWAFNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piperylone
CAS: 2531-04-6
CID: 17319
Formula: C17H23N3O
MW: 285.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass285.184112366
Monoisotopic Mass285.184112366
Topological Polar Surface Area35.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BUP04760-01Piperylone

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