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Chemical ID: 5895289
Chemical ID:
5895289
Name [?]:
4-methyl-N-[3-[(4-methyl-1-piperidyl)carbonyl]-4-(1-piperidyl)phenyl]-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)N3CCC(CC3)C)N4CCCCC4
InChi [?]:
InChI=1/C26H33N3O2/c1-19-6-8-21(9-7-19)25(30)27-22-10-11-24(28-14-4-3-5-15-28)23(18-22)26(31)29-16-12-20(2)13-17-29/h6-11,18,20H,3-5,12-17H2,1-2H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,25,29,28,30,3,7,4,6,12,13,21,23,27,31,20,24,16,2,22,5,11,15,14,8,17,10,26,19,9,18/E:(4,5)(6,7)(8,9)(12,13)(14,15)(16,17)/rA:31nCCCCCCCCONCCCCCCCONCCCCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s22;s19s23;s22;s14;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H33N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.959 |
Area: | 659.79 |
Solvation: | -3.5357 |
Coulombic: | -45.8889 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 419.559 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.42 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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