Chemical ID: 7298470

c1ccc(cc1)CC2CCN(CC2)CC(=O)Nc3ccc4c(c3)OCO4
Chemical ID:
7298470
Name [?]:
N-benzo[1,3]dioxol-5-yl-2-(4-benzyl-1-piperidyl)-acetamide
SMILES [?]:
c1ccc(cc1)CC2CCN(CC2)CC(=O)Nc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C21H24N2O3/c24-21(22-18-6-7-19-20(13-18)26-15-25-19)14-23-10-8-17(9-11-23)12-16-4-2-1-3-5-16/h1-7,13,17H,8-12,14-15H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,20,9,13,10,12,7,23,14,25,4,8,18,21,22,15,17,11,16,26,24/E:(2,3)(4,5)(8,9)(10,11)/rA:26nCCCCCCCCCCNCCCCONCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O3
All Atoms:50
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.72292
Area:571.227
Solvation:-4.55775
Coulombic:-42.5529
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:352.427
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.37
LogP (Chemaxon):3.59

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue