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STOCK1S-43979 N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide,Canon

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摘 要:STOCK1S-43979 N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide,Canonical SMILES: C1CCN(CC1)CC(=O)NC2=C3C(=CC=C2)OCO3,InChI: InChI=1/C14H18N2O3/c17-13(9-16-7-2-1-3-8-16)15-11-5-4-6-12-14(11)19-10-,18-12/h4-6H,1-3,7-10H2,(H,15,17)/f/h15H,Molecular We
[Synonyms]
STOCK1S-43979
[Structure]
STOCK1S-43979 N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide,Canon

[ Properties Computed from Structure]
Molecular Weight262.30432 [g/mol]
Molecular FormulaC14H18N2O3
XLogP1.4
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count3
Tautomer Count2
Exact Mass262.131742
MonoIsotopic Mass262.131742
Topological Polar Surface Area50.8
Heavy Atom Count19
Formal Charge0
Complexity318
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: N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide
Canonical SMILES: C1CCN(CC1)CC(=O)NC2=C3C(=CC=C2)OCO3
InChI: InChI=1/C14H18N2O3/c17-13(9-16-7-2-1-3-8-16)15-11-5-4-6-12-14(11)19-10-
18-12/h4-6H,1-3,7-10H2,(H,15,17)/f/h15H

 
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