CID 40062331
PubChem CID
40062331
Structure
Molecular Formula
Status
Non-live
Molecular Weight
372.5 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(3R)-1-(2-phenylacetyl)-N-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxamide
InChI=1S/C22H33N3O2/c1-2-12-24-14-10-20(11-15-24)23-22(27)19-9-6-13-25(17-19)21(26)16-18-7-4-3-5-8-18/h3-5,7-8,19-20H,2,6,9-17H2,1H3,(H,23,27)/p+1/t19-/m1/s1
UYKHMFIRFKILMF-LJQANCHMSA-O
CCC[NH+]1CCC(CC1)NC(=O)[C@@H]2CCCN(C2)C(=O)CC3=CC=CC=C3
C22H34N3O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
372.5 g/mol
Property Name
XLogP3-AA
Property Value
2.6
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
6
Property Name
Exact Mass
Property Value
372.26510234 g/mol
Property Name
Monoisotopic Mass
Property Value
372.26510234 g/mol
Property Name
Topological Polar Surface Area
Property Value
53.9 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
482
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
Old substance
CONTENTS