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821007-62-9 | Benzeneacetamide, N-[1-(3,3-diphenylpropyl)-4-piperidinyl]-N-methyl-
CAS No: 821007-62-9 Catalog No: AG004WII MDL No:
Product Description
Catalog Number:
AG004WII
Chemical Name:
Benzeneacetamide, N-[1-(3,3-diphenylpropyl)-4-piperidinyl]-N-methyl-
CAS Number:
821007-62-9
Molecular Formula:
C29H34N2O
Molecular Weight:
426.5931
IUPAC Name:
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methyl-2-phenylacetamide
InChI:
InChI=1S/C29H34N2O/c1-30(29(32)23-24-11-5-2-6-12-24)27-17-20-31(21-18-27)22-19-28(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,27-28H,17-23H2,1H3
InChI Key:
HTMHLBGJBTZBCX-UHFFFAOYSA-N
SMILES:
CN(C(=O)Cc1ccccc1)C1CCN(CC1)CCC(c1ccccc1)c1ccccc1
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.267g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.604g/mol
Monoisotopic Mass:
426.267g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Modulators of the human CCR5 receptor. Part 1: Discovery and initial SAR of 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas. | Bioorganic & medicinal chemistry letters 20050103 |
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