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Chemical ID: 3947116
Chemical ID:
3947116
Name [?]:
N,N-bis(6-piperidyl)-N'-tert-butyl-piperidine-1,3-dicarboxamide
SMILES [?]:
CC(C)(C)NC(=O)C1CCCN(C1)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H24ClN3O2/c1-17(2,3)20-15(22)12-5-4-10-21(11-12)16(23)19-14-8-6-13(18)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,9,19,21,18,22,11,13,8,20,17,6,14,2,23,16,5,12,7,15/E:(1,2,3)(6,7)(8,9)/rA:23cCCCCNCOCCCCNCCONCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24ClN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2126 |
Area: | 550.947 |
Solvation: | -2.56109 |
Coulombic: | -51.405 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.844 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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