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142654-77-1 | 1-(4-(1-PHENETHYL-1H-IMIDAZOLE-2-CARBONYL)PIPERIDIN-1-YL)ETHANONE
CAS No: 142654-77-1 Catalog No: AG007ZCF MDL No:
Product Description
Catalog Number:
AG007ZCF
Chemical Name:
1-(4-(1-PHENETHYL-1H-IMIDAZOLE-2-CARBONYL)PIPERIDIN-1-YL)ETHANONE
CAS Number:
142654-77-1
Molecular Formula:
C19H23N3O2
Molecular Weight:
325.4048
IUPAC Name:
1-[4-[1-(2-phenylethyl)imidazole-2-carbonyl]piperidin-1-yl]ethanone
InChI:
InChI=1S/C19H23N3O2/c1-15(23)21-12-8-17(9-13-21)18(24)19-20-10-14-22(19)11-7-16-5-3-2-4-6-16/h2-6,10,14,17H,7-9,11-13H2,1H3
InChI Key:
PCOMDEDHHDECBB-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCC(CC1)C(=O)c1nccn1CCc1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.179g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.412g/mol
Monoisotopic Mass:
325.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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