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Chemical ID: 6039290
Chemical ID:
6039290
Name [?]:
ethyl 1-[[1-(5-methylpyrazin-2-yl)carbonyl-3-piperidyl]carbonyl]piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)C(=O)C2CCCN(C2)C(=O)c3cnc(cn3)C
InChi [?]:
InChI=1/C20H28N4O4/c1-3-28-20(27)16-7-5-8-23(13-16)18(25)15-6-4-9-24(12-15)19(26)17-11-21-14(2)10-22-17/h10-11,15-16H,3-9,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,16,8,15,7,9,17,26,23,19,11,25,14,6,22,12,20,4,24,27,10,18,13,21,5,3/rA:28cCCOCOCCCCNCCOCCCCNCCOCCNCCNC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s12;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N4O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.3292 |
Area: | 616.018 |
Solvation: | -4.07128 |
Coulombic: | -61.3728 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 388.461 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.46 |
LogP (Chemaxon): | -0.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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