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88519-12-4 | 2,6-Piperazinedione, 4-(cyclopropylcarbonyl)-1-(2-phenylethyl)-
CAS No: 88519-12-4 Catalog No: AG00482W MDL No:
Product Description
Catalog Number:
AG00482W
Chemical Name:
2,6-Piperazinedione, 4-(cyclopropylcarbonyl)-1-(2-phenylethyl)-
CAS Number:
88519-12-4
Molecular Formula:
C16H18N2O3
Molecular Weight:
286.3257
IUPAC Name:
4-(cyclopropanecarbonyl)-1-(2-phenylethyl)piperazine-2,6-dione
InChI:
InChI=1S/C16H18N2O3/c19-14-10-17(16(21)13-6-7-13)11-15(20)18(14)9-8-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChI Key:
FKZORHJJRYUMQS-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)N1CC(=O)N(C(=O)C1)CCc1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.331g/mol
Monoisotopic Mass:
286.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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