Chemical ID: 4038146

CCN(CC)C(=O)C1CCCN(C1)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F
Chemical ID:
4038146
Name [?]:
N',N'-diethyl-N,N-bis(6-piperidyl)piperidine-1,3-dicarboxamide
SMILES [?]:
CCN(CC)C(=O)C1CCCN(C1)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F
InChi [?]:
InChI=1/C19H23F6N3O2/c1-3-27(4-2)16(29)12-6-5-7-28(11-12)17(30)26-15-9-13(18(20,21)22)8-14(10-15)19(23,24)25/h8-10,12H,3-7,11H2,1-2H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,9,11,20,18,22,13,8,19,21,17,6,14,27,23,28,29,30,24,25,26,16,3,12,7,15/E:(1,2)(3,4)(9,10)(13,14)(18,19)(20,21,22,23,24,25)/rA:30cCCNCCCOCCCCNCCONCCCCCCCFFFCFFF/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s8s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;s19;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23F6N3O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.4881
Area:598.023
Solvation:-4.46252
Coulombic:-81.8026
Bond Count [?]
All:31
Single:26
Double:5
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:439.395
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.6
LogP (Chemaxon):3.87

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Descriptor Annotations

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