Chemical ID: 6166284

COc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)Nc3ccc(cc3)Oc4ccccc4
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue