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Chemical ID: 6039286
Chemical ID:
6039286
Name [?]:
1-(5-methylpyrazin-2-yl)carbonyl-N-phenethyl-piperidine-3-carboxamide
SMILES [?]:
Cc1cnc(cn1)C(=O)N2CCCC(C2)C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C20H24N4O2/c1-15-12-23-18(13-22-15)20(26)24-11-5-8-17(14-24)19(25)21-10-9-16-6-3-2-4-7-16/h2-4,6-7,12-13,17H,5,8-11,14H2,1H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,12,22,26,13,20,19,11,3,6,15,2,21,14,5,16,8,18,7,4,10,17,9/E:(3,4)(6,7)/rA:26cCCCNCCNCONCCCCCCONCCCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N4O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4575 |
Area: | 590.246 |
Solvation: | -3.2987 |
Coulombic: | -49.7666 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.53 |
LogP (Chemaxon): | 0.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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