ChemDB: Chemical Search
Download
Chemical ID: 3939526
Chemical ID:
3939526
Name [?]:
4-benzamido-N,N-bis(4-benzamido-6-piperidyl)-piperidine-1-carboxamide
SMILES [?]:
c1ccc(cc1)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3F
InChi [?]:
InChI=1/C19H20FN3O2/c20-16-8-4-5-9-17(16)22-19(25)23-12-10-15(11-13-23)21-18(24)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,21,3,5,23,20,11,15,12,14,4,10,24,19,7,16,25,9,18,13,8,17/E:(2,3)(6,7)(10,11)(12,13)/rA:25nCCCCCCCONCCCNCCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20FN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5192 |
Area: | 547.762 |
Solvation: | -3.17483 |
Coulombic: | -58.1875 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 341.38 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.98 |
LogP (Chemaxon): | 1.85 |
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 |
---|