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Chemical ID: 3939529
Chemical ID:
3939529
Name [?]:
4-cyclohexylcarbonylamino-N-(2-fluorophenyl)-piperidine-1-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)N2CCC(CC2)NC(=O)C3CCCCC3)F
InChi [?]:
InChI=1/C19H26FN3O2/c20-16-8-4-5-9-17(16)22-19(25)23-12-10-15(11-13-23)21-18(24)14-6-2-1-3-7-14/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:22,21,23,2,1,20,24,3,6,12,14,11,15,19,13,4,5,17,8,25,16,7,10,18,9/E:(2,3)(6,7)(10,11)(12,13)/rA:25nCCCCCCNCONCCCCCNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s17;s19;s20;s21;s22;s19s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26FN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7165 |
Area: | 556.953 |
Solvation: | -3.20729 |
Coulombic: | -56.0352 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 347.427 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.18 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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