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CID 46576340

PubChem CID
46576340
Structure
CID 46576340_small.png
Molecular Formula
Status
Non-live
Molecular Weight
329.4 g/mol
Dates
  • Create:
    2010-07-23

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 46576340.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide

2.1.2 InChI

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)

2.1.3 InChIKey

BTNUXTGGZZQYLK-UHFFFAOYSA-N

2.1.4 SMILES

CNC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)N3CCCC3=O

2.2 Molecular Formula

C18H23N3O3

3 Chemical and Physical Properties

3.1 Computed Properties

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

5 Information Sources

CONTENTS