CID 44778250
PubChem CID
44778250
Structure
Molecular Formula
Status
Non-live
Molecular Weight
413.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
4-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
InChI=1S/C26H27N3O2/c30-25-17-23(19-29(25)24-8-2-1-3-9-24)26(31)28-14-12-27(13-15-28)18-20-10-11-21-6-4-5-7-22(21)16-20/h1-11,16,23H,12-15,17-19H2
ZVVLFIWDUOTGNW-UHFFFAOYSA-N
C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5
C26H27N3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
413.5 g/mol
Property Name
XLogP3-AA
Property Value
3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
413.21032711 g/mol
Property Name
Monoisotopic Mass
Property Value
413.21032711 g/mol
Property Name
Topological Polar Surface Area
Property Value
43.9 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
639
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
CONTENTS