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Chemical ID: 5889120
Chemical ID:
5889120
Name [?]:
4-methoxy-N-[4-(4-methyl-1-piperidyl)-3-(1-piperidylcarbonyl)phenyl]-benzamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)N3CCCCC3)NC(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C26H33N3O3/c1-19-12-16-28(17-13-19)24-11-8-21(18-23(24)26(31)29-14-4-3-5-15-29)27-25(30)20-6-9-22(32-2)10-7-20/h6-11,18-19H,3-5,12-17H2,1-2H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,32,19,18,20,26,30,10,27,29,9,3,7,17,21,4,6,12,2,25,11,28,13,8,23,14,22,5,16,24,15,31/E:(4,5)(6,7)(9,10)(12,13)(14,15)(16,17)/rA:32nCCCCNCCCCCCCCCONCCCCCNCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s11;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H33N3O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6253 |
Area: | 669.773 |
Solvation: | -5.11906 |
Coulombic: | -52.0549 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 435.559 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.9 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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