Chemical ID: 4764425

c1cc(nc(c1)N2CCC(CC2)C(=O)N)C(F)(F)F
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

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