Chemical ID: 6575069

COc1cccc(c1C(=O)N(c2ccccc2)C3CCN(CC3)Cc4ccccc4)OC
Chemical ID:
6575069
Name [?]:
N-(1-benzyl-4-piperidyl)-2,6-dimethoxy-N-phenyl-benzamide
SMILES [?]:
COc1cccc(c1C(=O)N(c2ccccc2)C3CCN(CC3)Cc4ccccc4)OC
InChi [?]:
InChI=1/C27H30N2O3/c1-31-24-14-9-15-25(32-2)26(24)27(30)29(22-12-7-4-8-13-22)23-16-18-28(19-17-23)20-21-10-5-3-6-11-21/h3-15,23H,16-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,28,15,27,29,14,16,5,26,30,13,17,4,6,19,23,20,22,24,25,12,18,3,7,8,9,21,11,10,2,31/E:(1,2)(5,6)(7,8)(10,11)(12,13)(14,15)(16,17)(18,19)(24,25)(31,32)/rA:32nCOCCCCCCCONCCCCCCCCCNCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s11;s18;s19;s20;s21;s18s22;s21;s24;s25;d26;s27;d28;d25s29;s7;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N2O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.2791
Area:640.48
Solvation:-5.73295
Coulombic:-38.745
Bond Count [?]
All:35
Single:25
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:430.539
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.07
LogP (Chemaxon):4.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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