Home Other Building Blocks 1-phenyl-3-(piperazin-1-yl)pyrrolidin-2-one, oxalic acid

1-phenyl-3-(piperazin-1-yl)pyrrolidin-2-one, oxalic acid

CAS No.:
1803566-92-8
Catalog Number:
AG01BCXV
Molecular Formula:
C16H21N3O5
Molecular Weight:
335.3550
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Product Description
Catalog Number:
AG01BCXV
Chemical Name:
1-phenyl-3-(piperazin-1-yl)pyrrolidin-2-one, oxalic acid
CAS Number:
1803566-92-8
Molecular Formula:
C16H21N3O5
Molecular Weight:
335.3550
MDL Number:
MFCD28012345
IUPAC Name:
oxalic acid;1-phenyl-3-piperazin-1-ylpyrrolidin-2-one
InChI:
InChI=1S/C14H19N3O.C2H2O4/c18-14-13(16-10-7-15-8-11-16)6-9-17(14)12-4-2-1-3-5-12;3-1(4)2(5)6/h1-5,13,15H,6-11H2;(H,3,4)(H,5,6)
InChI Key:
JLKFZUBRGIYWEA-UHFFFAOYSA-N
SMILES:
O=C1C(CCN1c1ccccc1)N1CCNCC1.OC(=O)C(=O)O
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.148g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
335.36g/mol
Monoisotopic Mass:
335.148g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties