CID 45014811
PubChem CID
45014811
Structure
Molecular Formula
Status
Non-live
Molecular Weight
445.0 g/mol
Dates
- Create:2010-03-26
Chemical Structure Depiction
1-[(4-chlorophenyl)methyl]-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide
InChI=1S/C25H33ClN2O3/c1-4-30-23-11-8-21(16-24(23)31-5-2)18(3)27-25(29)20-12-14-28(15-13-20)17-19-6-9-22(26)10-7-19/h6-11,16,18,20H,4-5,12-15,17H2,1-3H3,(H,27,29)
YBERMLWWFRGPNX-UHFFFAOYSA-N
CCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(CC2)CC3=CC=C(C=C3)Cl)OCC
C25H33ClN2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
445.0 g/mol
Property Name
XLogP3-AA
Property Value
4.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
444.2179706 g/mol
Property Name
Monoisotopic Mass
Property Value
444.2179706 g/mol
Property Name
Topological Polar Surface Area
Property Value
50.8 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
533
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
1
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