Piperafizine A

CAT: 0024-sc-202290Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-202290Size:1 mg

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CAS Number

130603-59-7

Chemical Information

Piperafizine A

structure given in first source; isolated from Streptoverticillium aspergilloides

CAS Number	130603-59-7
PubChem CID	6439298
IUPAC Name	(3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione
Molecular Formula	C19H16N2O2
Molecular Weight	304.3
XLogP	3.1
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	23
Formal Charge	0
Complexity	523

SMILES

CN1/C(=C\C2=CC=CC=C2)/C(=O)N/C(=C\C3=CC=CC=C3)/C1=O

InChI

InChI=1S/C19H16N2O2/c1-21-17(13-15-10-6-3-7-11-15)18(22)20-16(19(21)23)12-14-8-4-2-5-9-14/h2-13H,1H3,(H,20,22)/b16-12-,17-13-

InChIKey

DILBTCUXPAXMSM-MCOFMCJXSA-N

Chemical Structure

2D Structure

CAS: 130603-59-7

CID: 6439298

Formula: C19H16N2O2

MW: 304.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.3
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	304.121177757
Monoisotopic Mass	304.121177757
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	523
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-212561	Piperazine
sc-212561A	Piperazine
sc-250728	Piperazine hexahydrate
sc-250727	Piperazine dihydrochloride
sc-296092	Piperazine Adipate
sc-476267	Piperazine phosphate
sc-476268	Piperazine citrate
sc-302557	1- (Methylsulfonyl) piperazine
sc-333166	1- (methoxyacetyl) piperazine
sc-281223	1-Pivaloyl-piperazine

Catalog	Name
GTR19170714-01	Piperafizine A
GL7244-1mg	Piperafizine B
P4199-80	Piperafizine A (3,6-Dibenzylidene-1-methyl-2,5-dioxopiperazine)