Chemical ID: 3947115

CC(C)(C)NC(=O)C1CCCN(C1)C(=O)Nc2cccc(c2)OC
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

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Descriptor Annotations

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