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Chemical ID: 3948633
Chemical ID:
3948633
Name [?]:
2-(4-benzoyl-1-piperidyl)-N-(3,4-dimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CN2CCC(CC2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C22H26N2O2/c1-16-8-9-20(14-17(16)2)23-21(25)15-24-12-10-19(11-13-24)22(26)18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,8,24,23,25,22,26,3,4,15,17,14,18,6,12,2,7,21,16,5,10,19,9,13,11,20/E:(4,5)(6,7)(10,11)(12,13)/rA:26nCCCCCCCCNCOCNCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3555 |
Area: | 586.689 |
Solvation: | -4.31176 |
Coulombic: | -34.0834 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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