Chemical ID: 5889119

CC1CCN(CC1)c2ccc(cc2C(=O)N3CCCCC3)NC(=O)c4ccc(cc4)F
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

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Experimental Annotations

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Descriptor Annotations

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