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Home > Imidazoles > 228111-37-3
228111-37-3 | 1-(1-ETHOXYCARBONYL-4-PIPERIDINYL)-4-PHENYL-4-IMIDAZOLIN-2-ONE
CAS No: 228111-37-3 Catalog No: AG003CSC MDL No:
Product Description
Catalog Number:
AG003CSC
Chemical Name:
1-(1-ETHOXYCARBONYL-4-PIPERIDINYL)-4-PHENYL-4-IMIDAZOLIN-2-ONE
CAS Number:
228111-37-3
Molecular Formula:
C17H21N3O3
Molecular Weight:
315.3669
IUPAC Name:
ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C17H21N3O3/c1-2-23-17(22)19-10-8-14(9-11-19)20-12-15(18-16(20)21)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,18,21)
InChI Key:
RPAJKOOCLQUVJE-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(CC1)n1cc([nH]c1=O)c1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.373g/mol
Monoisotopic Mass:
315.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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