Chemical ID: 6039294

Cc1cnc(cn1)C(=O)N2CCCC(C2)C(=O)N3CCc4ccccc4C3
Chemical ID:
6039294
Name [?]:
[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-piperidyl]-(5-methylpyrazin-2-yl)-methanone
SMILES [?]:
Cc1cnc(cn1)C(=O)N2CCCC(C2)C(=O)N3CCc4ccccc4C3
InChi [?]:
InChI=1/C21H24N4O2/c1-15-11-23-19(12-22-15)21(27)24-9-4-7-18(14-24)20(26)25-10-8-16-5-2-3-6-17(16)13-25/h2-3,5-6,11-12,18H,4,7-10,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,12,22,25,13,20,11,19,3,6,27,15,2,21,26,14,5,16,8,7,4,10,18,17,9/rA:27cCCCNCCNCONCCCCCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N4O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.6887
Area:563.252
Solvation:-3.39259
Coulombic:-44.427
Bond Count [?]
All:30
Single:22
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.441
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.36
LogP (Chemaxon):0.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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