CID 39161490
PubChem CID
39161490
Structure
Molecular Formula
Status
Non-live
Molecular Weight
272.37 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
N-(2-cyanophenyl)-2-[(2R)-2-ethylpiperidin-1-ium-1-yl]acetamide
InChI=1S/C16H21N3O/c1-2-14-8-5-6-10-19(14)12-16(20)18-15-9-4-3-7-13(15)11-17/h3-4,7,9,14H,2,5-6,8,10,12H2,1H3,(H,18,20)/p+1/t14-/m1/s1
FYRSIDHWUAIQKQ-CQSZACIVSA-O
CC[C@@H]1CCCC[NH+]1CC(=O)NC2=CC=CC=C2C#N
C16H22N3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
272.37 g/mol
Property Name
XLogP3-AA
Property Value
3.2
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
272.176287334 g/mol
Property Name
Monoisotopic Mass
Property Value
272.176287334 g/mol
Property Name
Topological Polar Surface Area
Property Value
57.3 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
373
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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