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89680-94-4 | 2-Piperidinone, 5-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-
CAS No: 89680-94-4 Catalog No: AG0042Y3 MDL No:
Product Description
Catalog Number:
AG0042Y3
Chemical Name:
2-Piperidinone, 5-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-
CAS Number:
89680-94-4
Molecular Formula:
C17H23NO4
Molecular Weight:
305.3688
IUPAC Name:
5-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
InChI:
InChI=1S/C17H23NO4/c1-12(19)14-5-7-17(20)18(11-14)9-8-13-4-6-15(21-2)16(10-13)22-3/h4,6,10,14H,5,7-9,11H2,1-3H3
InChI Key:
DXROKUAXQABQBN-UHFFFAOYSA-N
SMILES:
COc1cc(CCN2CC(CCC2=O)C(=O)C)ccc1OC
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.374g/mol
Monoisotopic Mass:
305.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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