CID 28099902
PubChem CID
28099902
Structure
Molecular Formula
Status
Non-live
Molecular Weight
369.5 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
ethyl 2-[methyl-[(3R)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carbonyl]amino]acetate
InChI=1S/C18H31N3O5/c1-3-26-17(23)14-19(2)18(24)15-5-6-16(22)21(13-15)8-4-7-20-9-11-25-12-10-20/h15H,3-14H2,1-2H3/t15-/m1/s1
IBKACBUJRDEJGK-OAHLLOKOSA-N
CCOC(=O)CN(C)C(=O)[C@@H]1CCC(=O)N(C1)CCCN2CCOCC2
C18H31N3O5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
369.5 g/mol
Property Name
XLogP3-AA
Property Value
-0.4
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
369.22637110 g/mol
Property Name
Monoisotopic Mass
Property Value
369.22637110 g/mol
Property Name
Topological Polar Surface Area
Property Value
79.4 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
493
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