Chemical ID: 4409352

COc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)Nc3ccc(cc3OC)OC
Chemical ID:
4409352
Name [?]:
N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)Nc3ccc(cc3OC)OC
InChi [?]:
InChI=1/C22H26N2O5/c1-27-17-6-4-16(5-7-17)22(26)24-12-10-15(11-13-24)21(25)23-19-9-8-18(28-2)14-20(19)29-3/h4-9,14-15H,10-13H2,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,29,27,5,7,4,8,22,21,13,15,12,16,24,14,6,3,23,20,25,17,9,19,11,18,10,2,28,26/E:(4,5)(6,7)(10,11)(12,13)/rA:29nCOCCCCCCCONCCCCCCONCCCCCCOCOC/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;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.19863
Area:623.689
Solvation:-6.3936
Coulombic:-59.03
Bond Count [?]
All:31
Single:23
Double:8
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:398.452
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.59
LogP (Chemaxon):2.02

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Descriptor Annotations

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