Chemical ID: 4772846

c1ccc(cc1)C(=O)NC2CCN(CC2)CCc3c[nH]c4c3cccc4
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

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Descriptor Annotations

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