CID 25275213
PubChem CID
25275213
Structure
Molecular Formula
Status
Non-live
Molecular Weight
380.5 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-pyridin-2-ylacetamide
InChI=1S/C24H33N3O/c1-3-27(24(28)18-23-10-6-7-14-25-23)19-21-11-15-26(16-12-21)17-13-22-9-5-4-8-20(22)2/h4-10,14,21H,3,11-13,15-19H2,1-2H3/p+1
TUODNNJXTPNOLT-UHFFFAOYSA-O
CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)CC3=CC=CC=N3
C24H34N3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
380.5 g/mol
Property Name
XLogP3-AA
Property Value
3.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
380.270187717 g/mol
Property Name
Monoisotopic Mass
Property Value
380.270187717 g/mol
Property Name
Topological Polar Surface Area
Property Value
37.6 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
461
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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
Old substance
CONTENTS