CID 44780939
PubChem CID
44780939
Structure
Molecular Formula
Status
Non-live
Molecular Weight
419.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
[4-(4-methoxyphenoxy)piperidin-1-yl]-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanone
InChI=1S/C25H29N3O3/c1-17-18(2)26-28(19(17)3)21-7-5-20(6-8-21)25(29)27-15-13-24(14-16-27)31-23-11-9-22(30-4)10-12-23/h5-12,24H,13-16H2,1-4H3
VCZOILAYTRNGKQ-UHFFFAOYSA-N
CC1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N3CCC(CC3)OC4=CC=C(C=C4)OC)C
C25H29N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
419.5 g/mol
Property Name
XLogP3-AA
Property Value
4.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
419.22089180 g/mol
Property Name
Monoisotopic Mass
Property Value
419.22089180 g/mol
Property Name
Topological Polar Surface Area
Property Value
56.6 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
579
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
CONTENTS