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Chemical ID: 4764425
Chemical ID:
4764425
Name [?]:
1-[6-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide
SMILES [?]:
c1cc(nc(c1)N2CCC(CC2)C(=O)N)C(F)(F)F
InChi [?]:
InChI=1/C12H14F3N3O/c13-12(14,15)9-2-1-3-10(17-9)18-6-4-8(5-7-18)11(16)19/h1-3,8H,4-7H2,(H2,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,11,8,12,10,3,5,13,16,17,18,19,15,4,7,14/E:(4,5)(6,7)(13,14,15)/rA:19nCCCNCCNCCCCCCONCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s3;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14F3N3O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.29085 |
Area: | 420.072 |
Solvation: | -3.21095 |
Coulombic: | -56.014 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 273.254 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.91 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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