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102012-64-6 | 3-Piperidinecarboxylic acid, 4-oxo-2,6-diphenyl-, ethyl ester
CAS No: 102012-64-6 Catalog No: AG0006BD MDL No:
Product Description
Catalog Number:
AG0006BD
Chemical Name:
3-Piperidinecarboxylic acid, 4-oxo-2,6-diphenyl-, ethyl ester
CAS Number:
102012-64-6
Molecular Formula:
C20H21NO3
Molecular Weight:
323.3856
IUPAC Name:
ethyl 4-oxo-2,6-diphenylpiperidine-3-carboxylate
InChI:
InChI=1S/C20H21NO3/c1-2-24-20(23)18-17(22)13-16(14-9-5-3-6-10-14)21-19(18)15-11-7-4-8-12-15/h3-12,16,18-19,21H,2,13H2,1H3
InChI Key:
WVIOXDTZTOXYGQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(=O)CC(NC1c1ccccc1)c1ccccc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.392g/mol
Monoisotopic Mass:
323.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Ethyl 7-oxo-3,5-diphenyl-1,4-diazepane-2-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20120501 |
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