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Chemical ID: 4772846
Chemical ID:
4772846
Name [?]:
N-[1-[2-(1H-indol-3-yl)ethyl]-4-piperidyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC2CCN(CC2)CCc3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,25,3,5,23,26,17,11,15,16,12,14,19,4,18,10,22,21,7,20,9,13,8/E:(2,3)(6,7)(11,12)(14,15)/rA:26nCCCCCCCONCCCNCCCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;s20;s18s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25N3O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9609 |
Area: | 584.763 |
Solvation: | -2.65817 |
Coulombic: | -40.0137 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 347.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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