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Chemical ID: 3939492
Chemical ID:
3939492
Name [?]:
4-(2,2-dimethylpropanoylamino)-N,N-bis[4-(2,2-dimethylpropanoylamino)-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
CC(C)(C)C(=O)NC1CCN(CC1)C(=O)Nc2cccc(c2)OC
InChi [?]:
InChI=1/C18H27N3O3/c1-18(2,3)16(22)19-13-8-10-21(11-9-13)17(23)20-14-6-5-7-15(12-14)24-4/h5-7,12-13H,8-11H2,1-4H3,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,19,18,20,9,13,10,12,22,8,17,21,5,14,2,7,16,11,6,15,23/E:(1,2,3)(8,9)(10,11)/rA:24nCCCCCONCCCNCCCONCCCCCCOC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s11;s8s12;s11;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: | 0 |
ZAP Information [?]
Total: | 9.9244 |
Area: | 559.698 |
Solvation: | -4.06806 |
Coulombic: | -58.0877 |
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: | 1.76 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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