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Chemical ID: 7298470
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
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Experimental Annotations
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Descriptor Annotations
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