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117075-97-5 | 4-Piperidinecarboxylic acid, 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl]-4-phenyl-
CAS No: 117075-97-5 Catalog No: AG000DNV MDL No:
Product Description
Catalog Number:
AG000DNV
Chemical Name:
4-Piperidinecarboxylic acid, 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl]-4-phenyl-
CAS Number:
117075-97-5
Molecular Formula:
C30H31N3O3
Molecular Weight:
481.5854
IUPAC Name:
1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl]-4-phenylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C30H31N3O3/c1-23-31-32-27(36-23)30(25-13-7-3-8-14-25,26-15-9-4-10-16-26)19-22-33-20-17-29(18-21-33,28(34)35)24-11-5-2-6-12-24/h2-16H,17-22H2,1H3,(H,34,35)
InChI Key:
TUNBQLBVMAHJLA-UHFFFAOYSA-N
SMILES:
Cc1nnc(o1)C(c1ccccc1)(c1ccccc1)CCN1CCC(CC1)(C(=O)O)c1ccccc1
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.237g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
481.596g/mol
Monoisotopic Mass:
481.237g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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