ChemDB: Chemical Search
Download
Chemical ID: 7261784
Chemical ID:
7261784
Name [?]:
2-(4-benzyl-1-piperidyl)-N-(3,4-dimethoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1OC)NC(=O)CN2CCC(CC2)Cc3ccccc3
InChi [?]:
InChI=1/C22H28N2O3/c1-26-20-9-8-19(15-21(20)27-2)23-22(25)16-24-12-10-18(11-13-24)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,10,25,24,26,23,27,5,4,17,19,16,20,21,7,14,22,18,6,3,8,12,11,15,13,2,9/E:(4,5)(6,7)(10,11)(12,13)/rA:27nCOCCCCCCOCNCOCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O3 |
All Atoms: | 55 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74541 |
Area: | 603.353 |
Solvation: | -6.33841 |
Coulombic: | -40.2561 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.18 |
LogP (Chemaxon): | 3.4 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|