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Oprea1_104024,Oprea1_752906,STK053056, [1-[(5-methylfuran-2-yl)methyl]

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摘 要:Oprea1_104024,Oprea1_752906,STK053056, [1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl),methanone,Canonical SMILES: CC1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=C(O3)C,InChI: InChI=1/C18H28N2O2/c1-14-5-11-20(12-6-14)18(21)16-7-9-19(10-8-16
[Synonyms]
Oprea1_104024
Oprea1_752906
STK053056

[Structure]
Oprea1_104024,Oprea1_752906,STK053056, [1-[(5-methylfuran-2-yl)methyl]

[ Properties Computed from Structure]
Molecular Weight304.42712 [g/mol]
Molecular FormulaC18H28N2O2
XLogP1.9
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count3
Exact Mass304.215078
MonoIsotopic Mass304.215078
Topological Polar Surface Area36.7
Heavy Atom Count22
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)
methanone
Canonical SMILES: CC1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=C(O3)C
InChI: InChI=1/C18H28N2O2/c1-14-5-11-20(12-6-14)18(21)16-7-9-19(10-8-16)13-17-
4-3-15(2)22-17/h3-4,14,16H,5-13H2,1-2H3

 
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