ChemDB: Chemical Search
Download
Chemical ID: 5988165
Chemical ID:
5988165
Name [?]:
3-cyclopentyl-1-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-propan-1-one
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)CCC4CCCC4
InChi [?]:
InChI=1/C22H29N3O2/c1-16-9-12-18(13-10-16)21-23-22(27-24-21)19-8-4-5-15-25(19)20(26)14-11-17-6-2-3-7-17/h9-10,12-13,17,19H,2-8,11,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,26,15,16,24,27,14,3,7,22,4,6,21,17,2,23,5,13,19,8,10,9,12,18,20,11/E:(2,3)(6,7)(9,10)(12,13)/rA:27cCCCCCCCCNCONCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0982 |
Area: | 596.836 |
Solvation: | -2.82273 |
Coulombic: | -29.8677 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.485 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.8 |
LogP (Chemaxon): | 4.66 |
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 |
---|