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Chemical ID: 3939540
Chemical ID:
3939540
Name [?]:
4-(1-adamantylcarbonylamino)-N-(3-fluorophenyl)-piperidine-1-carboxamide
SMILES [?]:
c1cc(cc(c1)F)NC(=O)N2CCC(CC2)NC(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C23H30FN3O2/c24-18-2-1-3-20(11-18)26-22(29)27-6-4-19(5-7-27)25-21(28)23-12-15-8-16(13-23)10-17(9-15)14-23/h1-3,11,15-17,19H,4-10,12-14H2,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,6,2,13,15,12,16,23,26,28,4,25,21,29,24,22,27,5,14,3,18,9,20,7,17,8,11,19,10/E:(4,5)(6,7)(8,9,10)(12,13,14)(15,16,17)/rA:29nCCCCCCFNCONCCCCCNCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s18;s20;s21;s22;s23;s20s24;s24;s26;s22s27;s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30FN3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2328 |
Area: | 592.078 |
Solvation: | -3.56913 |
Coulombic: | -55.5473 |
Bond Count [?]
All: | 33 |
Single: | 28 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 399.502 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.22 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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