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Home > Nitro Compounds > 821007-57-2
821007-57-2 | Benzamide, N-[1-(3,3-diphenylpropyl)-4-piperidinyl]-N-methyl-3-nitro-
CAS No: 821007-57-2 Catalog No: AG0051SV MDL No:
Product Description
Catalog Number:
AG0051SV
Chemical Name:
Benzamide, N-[1-(3,3-diphenylpropyl)-4-piperidinyl]-N-methyl-3-nitro-
CAS Number:
821007-57-2
Molecular Formula:
C28H31N3O3
Molecular Weight:
457.5640
IUPAC Name:
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methyl-3-nitrobenzamide
InChI:
InChI=1S/C28H31N3O3/c1-29(28(32)24-13-8-14-26(21-24)31(33)34)25-15-18-30(19-16-25)20-17-27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,21,25,27H,15-20H2,1H3
InChI Key:
MNSMUFDWZBKPPP-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1cccc(c1)[N+](=O)[O-])C1CCN(CC1)CCC(c1ccccc1)c1ccccc1
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.237g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
457.574g/mol
Monoisotopic Mass:
457.237g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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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