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(3S)-1-benzyl-3-ethylpiperazine-2,5-dione

(3S)-1-benzyl-3-ethylpiperazine-2,5-dione

CAS: 325145-36-6

Formula: C13H16N2O2

SMILES: CC[C@@H]1NC(=O)CN(CC2=CC=CC=C2)C1=O

IUPAC: (3S)-1-benzyl-3-ethylpiperazine-2,5-dione

InChI: InChI=1S/C13H16N2O2/c1-2-11-13(17)15(9-12(16)14-11)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,16)/t11-/m0/s1

Composition: C (67.22%), H (6.94%), N (12.06%), O (13.78%)

Molar Mass: 232.283

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 232.121177763
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MUIKRKFOQRVJON-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.13
Topological Polar Surface Area 49.41
Polarizability 24.91
Ring Count 2
Rotatable Bond Count 3

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