Chemical ID: 6039290

CCOC(=O)C1CCCN(C1)C(=O)C2CCCN(C2)C(=O)c3cnc(cn3)C
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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