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CGP-49823

CAT: 0013-GTR19209569-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209569-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CGP-49823
CAS Number
150705-88-7
Smiles
C (=O) (N1[C@H] (CC2=CC=CC=C2) C[C@@H] (NCC=3C4=C (N=CC3) C=CC=C4) CC1) C5=CC (C) =CC (C) =C5
Molecular Formula
C31H33N3O
Molecular Weight
463.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CAS Number150705-88-7
PubChem CID9869033
IUPAC Name[(2R,4S)-2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
Molecular FormulaC31H33N3O
Molecular Weight463.6
XLogP6
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity666
SMILES
CC1=CC(=CC(=C1)C(=O)N2CC[C@@H](C[C@H]2CC3=CC=CC=C3)NCC4=CC=NC5=CC=CC=C45)C
InChI
InChI=1S/C31H33N3O/c1-22-16-23(2)18-26(17-22)31(35)34-15-13-27(20-28(34)19-24-8-4-3-5-9-24)33-21-25-12-14-32-30-11-7-6-10-29(25)30/h3-12,14,16-18,27-28,33H,13,15,19-21H2,1-2H3/t27-,28+/m0/s1
InChIKey
WQZUOBIIPDZRJP-WUFINQPMSA-N
Chemical Structure
2D Structure
2D structure of ((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CAS: 150705-88-7
CID: 9869033
Formula: C31H33N3O
MW: 463.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.6
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass463.262362685
Monoisotopic Mass463.262362685
Topological Polar Surface Area45.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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