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Chemical ID: 4409352
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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