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CID 28708831

PubChem CID
28708831
Structure
CID 28708831_small.png
Molecular Formula
Status
Non-live
Molecular Weight
241.33 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 28708831.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,2-dimethyl-N-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]propanamide

2.1.2 InChI

InChI=1S/C12H23N3O2/c1-9(14-11(17)12(2,3)4)10(16)15-7-5-13-6-8-15/h9,13H,5-8H2,1-4H3,(H,14,17)/t9-/m1/s1

2.1.3 InChIKey

NRNAXAJAIGVGAT-SECBINFHSA-N

2.1.4 SMILES

C[C@H](C(=O)N1CCNCC1)NC(=O)C(C)(C)C

2.2 Molecular Formula

C12H23N3O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
241.33 g/mol
Property Name
XLogP3-AA
Property Value
0.2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
241.17902698 g/mol
Property Name
Monoisotopic Mass
Property Value
241.17902698 g/mol
Property Name
Topological Polar Surface Area
Property Value
61.4 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
291
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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