Chemical ID: 6503374

CC(C)(C)N1CC(=O)N(CC1=O)C(C)(C)C
Chemical ID:
6503374
Name [?]:
1,4-ditert-butylpiperazine-2,5-dione
SMILES [?]:
CC(C)(C)N1CC(=O)N(CC1=O)C(C)(C)C
InChi [?]:
InChI=1/C12H22N2O2/c1-11(2,3)13-7-10(16)14(8-9(13)15)12(4,5)6/h7-8H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,15,16,6,10,11,7,2,13,5,9,12,8/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCCNCCONCCOCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;s9;s5s10;d11;s9;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.77121
Area:391.869
Solvation:-2.02551
Coulombic:-33.0304
Bond Count [?]
All:16
Single:14
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.315
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.23
LogP (Chemaxon):0.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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