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Chemical ID: 6166284
Chemical ID:
6166284
Name [?]:
1-(4-methoxybenzoyl)-N-(4-phenoxyphenyl)-piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)Nc3ccc(cc3)Oc4ccccc4
InChi [?]:
InChI=1/C26H26N2O4/c1-31-22-11-7-20(8-12-22)26(30)28-17-15-19(16-18-28)25(29)27-21-9-13-24(14-10-21)32-23-5-3-2-4-6-23/h2-14,19H,15-18H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,30,29,31,28,32,5,7,21,25,4,8,22,24,13,15,12,16,14,6,20,3,27,23,17,9,19,11,18,10,2,26/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:32nCOCCCCCCCONCCCCCCONCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N2O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2397 |
Area: | 668.555 |
Solvation: | -5.47415 |
Coulombic: | -53.3558 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 430.496 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.24 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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