CID 46576340
PubChem CID
46576340
Structure
Molecular Formula
Status
Non-live
Molecular Weight
329.4 g/mol
Dates
- Create:2010-07-23
Chemical Structure Depiction
N-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
InChI=1S/C18H23N3O3/c1-19-17(23)13-7-10-20(11-8-13)18(24)14-4-2-5-15(12-14)21-9-3-6-16(21)22/h2,4-5,12-13H,3,6-11H2,1H3,(H,19,23)
BTNUXTGGZZQYLK-UHFFFAOYSA-N
CNC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)N3CCCC3=O
C18H23N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
329.4 g/mol
Property Name
XLogP3-AA
Property Value
0.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
329.17394160 g/mol
Property Name
Monoisotopic Mass
Property Value
329.17394160 g/mol
Property Name
Topological Polar Surface Area
Property Value
69.7 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
500
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