CID 44770895
PubChem CID
44770895
Structure
Molecular Formula
Status
Non-live
Molecular Weight
460.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
6-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one
InChI=1S/C29H36N2O3/c1-20(2)30-16-12-29(13-17-30)19-26(32)25-18-24(8-9-27(25)34-29)22-4-6-23(7-5-22)28(33)31-14-10-21(3)11-15-31/h4-9,18,20-21H,10-17,19H2,1-3H3
RCAHFQMLSOAVEZ-UHFFFAOYSA-N
CC1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC4=C(C=C3)OC5(CCN(CC5)C(C)C)CC4=O
C29H36N2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
460.6 g/mol
Property Name
XLogP3-AA
Property Value
5
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
3
Property Name
Exact Mass
Property Value
460.27259301 g/mol
Property Name
Monoisotopic Mass
Property Value
460.27259301 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.9 A^2
Property Name
Heavy Atom Count
Property Value
34
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
728
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