Chemical ID: 3939563

c1ccc(cc1)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3C(F)(F)F
Chemical ID:
3939563
Name [?]:
4-benzamido-N,N-bis(4-benzamido-6-piperidyl)-piperidine-1-carboxamide
SMILES [?]:
c1ccc(cc1)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3C(F)(F)F
InChi [?]:
InChI=1/C20H20F3N3O2/c21-20(22,23)16-8-4-5-9-17(16)25-19(28)26-12-10-15(11-13-26)24-18(27)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,24,27)(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,21,3,5,23,20,11,15,12,14,4,10,24,19,7,16,25,26,27,28,9,18,13,8,17/E:(2,3)(6,7)(10,11)(12,13)(21,22,23)/rA:28nCCCCCCCONCCCNCCCONCCCCCCCFFF/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;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20F3N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.2416
Area:575.32
Solvation:-3.14142
Coulombic:-72.5507
Bond Count [?]
All:30
Single:22
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:391.387
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.74
LogP (Chemaxon):3.24

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Descriptor Annotations

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