CID 45338266
PubChem CID
45338266
Structure
Molecular Formula
Status
Non-live
Molecular Weight
353.4 g/mol
Dates
- Create:2010-05-13
Chemical Structure Depiction
1-(2-methoxy-5-methylbenzoyl)-4-phenylpiperidine-4-carboxylic acid
InChI=1S/C21H23NO4/c1-15-8-9-18(26-2)17(14-15)19(23)22-12-10-21(11-13-22,20(24)25)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,24,25)
MDYCXNXZXGOIDL-UHFFFAOYSA-N
CC1=CC(=C(C=C1)OC)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O
C21H23NO4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
353.4 g/mol
Property Name
XLogP3-AA
Property Value
3.2
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
4
Property Name
Exact Mass
Property Value
353.16270821 g/mol
Property Name
Monoisotopic Mass
Property Value
353.16270821 g/mol
Property Name
Topological Polar Surface Area
Property Value
66.8 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
506
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