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Chemical ID: 6658382
Chemical ID:
6658382
Name [?]:
N-(1-benzyl-4-piperidyl)-N-phenyl-acetamide
SMILES [?]:
CC(=O)N(c1ccccc1)C2CCN(CC2)Cc3ccccc3
InChi [?]:
InChI=1/C20H24N2O/c1-17(23)22(19-10-6-3-7-11-19)20-12-14-21(15-13-20)16-18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,8,20,22,7,9,19,23,6,10,12,16,13,15,17,2,18,5,11,14,4,3/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:23nCCONCCCCCCCCCNCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s4;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1696 |
Area: | 518.163 |
Solvation: | -2.78446 |
Coulombic: | -22.3081 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.417 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.52 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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