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Chemical ID: 5889119
Chemical ID:
5889119
Name [?]:
4-fluoro-N-[4-(4-methyl-1-piperidyl)-3-(1-piperidylcarbonyl)phenyl]-benzamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)N3CCCCC3)NC(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C25H30FN3O2/c1-18-11-15-28(16-12-18)23-10-9-21(27-24(30)19-5-7-20(26)8-6-19)17-22(23)25(31)29-13-3-2-4-14-29/h5-10,17-18H,2-4,11-16H2,1H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,26,30,27,29,10,9,3,7,17,21,4,6,12,2,25,28,11,13,8,23,14,31,22,5,16,24,15/E:(3,4)(5,6)(7,8)(11,12)(13,14)(15,16)/rA:31nCCCCNCCCCCCCCCONCCCCCNCOCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s11;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30FN3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.228 |
Area: | 639.741 |
Solvation: | -4.76555 |
Coulombic: | -48.5766 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 423.523 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.15 |
LogP (Chemaxon): | 4.42 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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