Chemical ID: 6616649

COc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)Nc3ccccc3OC
Chemical ID:
6616649
Name [?]:
1-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C21H24N2O4/c1-26-17-9-7-16(8-10-17)21(25)23-13-11-15(12-14-23)20(24)22-18-5-3-4-6-19(18)27-2/h3-10,15H,11-14H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,22,23,21,24,5,7,4,8,13,15,12,16,14,6,3,20,25,17,9,19,11,18,10,2,26/E:(7,8)(9,10)(11,12)(13,14)/rA:27nCOCCCCCCCONCCCCCCONCCCCCCOC/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;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.27639
Area:587.126
Solvation:-5.40176
Coulombic:-52.7155
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:368.426
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.67
LogP (Chemaxon):2.28

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