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Chemical ID: 3947115
Chemical ID:
3947115
Name [?]:
N,N-bis(6-piperidyl)-N'-tert-butyl-piperidine-1,3-dicarboxamide
SMILES [?]:
CC(C)(C)NC(=O)C1CCCN(C1)C(=O)Nc2cccc(c2)OC
InChi [?]:
InChI=1/C18H27N3O3/c1-18(2,3)20-16(22)13-7-6-10-21(12-13)17(23)19-14-8-5-9-15(11-14)24-4/h5,8-9,11,13H,6-7,10,12H2,1-4H3,(H,19,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,19,10,9,18,20,11,22,13,8,17,21,6,14,2,16,5,12,7,15,23/E:(1,2,3)/rA:24cCCCCNCOCCCCNCCONCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H27N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0377 |
Area: | 553.3 |
Solvation: | -3.79476 |
Coulombic: | -57.7021 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.425 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.98 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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