CID 28403118
PubChem CID
28403118
Structure
Molecular Formula
Status
Non-live
Molecular Weight
286.4 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
N-(3-cyanophenyl)-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide
InChI=1S/C17H23N3O/c1-13-5-3-6-14(2)20(13)10-9-17(21)19-16-8-4-7-15(11-16)12-18/h4,7-8,11,13-14H,3,5-6,9-10H2,1-2H3,(H,19,21)/p+1/t13-,14-/m1/s1
QHLCZPQJYBCAQQ-ZIAGYGMSSA-O
C[C@@H]1CCC[C@H]([NH+]1CCC(=O)NC2=CC=CC(=C2)C#N)C
C17H24N3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
286.4 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
286.191937398 g/mol
Property Name
Monoisotopic Mass
Property Value
286.191937398 g/mol
Property Name
Topological Polar Surface Area
Property Value
57.3 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
390
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS