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Chemical ID: 4038146
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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