Chemical ID: 5931399

CC(C)CNC(=O)c1cc(ccc1N2CCC(CC2)Cc3ccccc3)N
Chemical ID:
5931399
Name [?]:
5-amino-2-(4-benzyl-1-piperidyl)-N-isobutyl-benzamide
SMILES [?]:
CC(C)CNC(=O)c1cc(ccc1N2CCC(CC2)Cc3ccccc3)N
InChi [?]:
InChI=1/C23H31N3O/c1-17(2)16-25-23(27)21-15-20(24)8-9-22(21)26-12-10-19(11-13-26)14-18-6-4-3-5-7-18/h3-9,15,17,19H,10-14,16,24H2,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,24,23,25,22,26,11,12,16,18,15,19,20,9,4,2,21,17,10,8,13,6,27,5,14,7/E:(1,2)(4,5)(6,7)(10,11)(12,13)/rA:27nCCCCNCOCCCCCCNCCCCCCCCCCCCN/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N3O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.2164
Area:612.544
Solvation:-3.09719
Coulombic:-46.2174
Bond Count [?]
All:29
Single:22
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:365.512
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:4.71
LogP (Chemaxon):4.31

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Descriptor Annotations

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