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Chemical ID: 3959324
Chemical ID:
3959324
Name [?]:
N-(1-adamantyl)-2-[4-(1-piperidyl)-1-piperidyl]-acetamide
SMILES [?]:
C1CCN(CC1)C2CCN(CC2)CC(=O)NC34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C22H37N3O/c26-21(23-22-13-17-10-18(14-22)12-19(11-17)15-22)16-24-8-4-20(5-9-24)25-6-2-1-3-7-25/h17-20H,1-16H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,12,3,5,9,11,20,23,25,22,18,26,13,21,19,24,7,14,17,16,10,4,15/E:(2,3)(4,5)(6,7)(8,9)(10,11,12)(13,14,15)(17,18,19)/rA:26nCCCNCCCCCNCCCCONCCCCCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;d14;s14;s16;s17;s18;s19;s20;s17s21;s21;s23;s19s24;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H37N3O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9651 |
Area: | 552.2 |
Solvation: | -2.83993 |
Coulombic: | -30.8692 |
Bond Count [?]
All: | 30 |
Single: | 29 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 359.549 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.37 |
LogP (Chemaxon): | 1.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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