ChemDB: Chemical Search
Download
Chemical ID: 5896839
Chemical ID:
5896839
Name [?]:
3-cyclohexyl-1-[3-[(4-methyl-1-piperidyl)carbonyl]-4-(1-piperidyl)phenyl]-urea
SMILES [?]:
CC1CCN(CC1)C(=O)c2cc(ccc2N3CCCCC3)NC(=O)NC4CCCCC4
InChi [?]:
InChI=1/C25H38N4O2/c1-19-12-16-29(17-13-19)24(30)22-18-21(10-11-23(22)28-14-6-3-7-15-28)27-25(31)26-20-8-4-2-5-9-20/h10-11,18-20H,2-9,12-17H2,1H3,(H2,26,27,31)
InChi Info:
AuxInfo=1/1/N:1,29,19,28,30,18,20,27,31,13,14,3,7,17,21,4,6,11,2,26,12,10,15,8,23,25,22,16,5,9,24/E:(4,5)(6,7)(8,9)(12,13)(14,15)(16,17)/rA:31nCCCCNCCCOCCCCCCNCCCCCNCONCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s12;s22;d23;s23;s25;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H38N4O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9442 |
Area: | 661.836 |
Solvation: | -3.60169 |
Coulombic: | -58.3016 |
Bond Count [?]
All: | 34 |
Single: | 29 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 426.595 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.12 |
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 |
---|