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88519-13-5 | Piperazinone, 4-(cyclopropylcarbonyl)-6-hydroxy-1-(2-phenylethyl)-
CAS No: 88519-13-5 Catalog No: AG00482V MDL No:
Product Description
Catalog Number:
AG00482V
Chemical Name:
Piperazinone, 4-(cyclopropylcarbonyl)-6-hydroxy-1-(2-phenylethyl)-
CAS Number:
88519-13-5
Molecular Formula:
C16H20N2O3
Molecular Weight:
288.3416
IUPAC Name:
4-(cyclopropanecarbonyl)-6-hydroxy-1-(2-phenylethyl)piperazin-2-one
InChI:
InChI=1S/C16H20N2O3/c19-14-10-17(16(21)13-6-7-13)11-15(20)18(14)9-8-12-4-2-1-3-5-12/h1-5,13-14,19H,6-11H2
InChI Key:
FSBSYRPETUVJBU-UHFFFAOYSA-N
SMILES:
OC1CN(CC(=O)N1CCc1ccccc1)C(=O)C1CC1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.347g/mol
Monoisotopic Mass:
288.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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