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Chemical ID: 3939552
Chemical ID:
3939552
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)Nc2ccccc2Cl
InChi [?]:
InChI=1/C17H24ClN3O2/c1-17(2,3)15(22)19-12-8-10-21(11-9-12)16(23)20-14-7-5-4-6-13(14)18/h4-7,12H,8-11H2,1-3H3,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,19,21,18,9,13,10,12,8,22,17,5,14,2,23,7,16,11,6,15/E:(1,2,3)(8,9)(10,11)/rA:23nCCCCCONCCCNCCCONCCCCCCCl/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24ClN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.18 |
Area: | 546.351 |
Solvation: | -2.47878 |
Coulombic: | -52.6871 |
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: | 2.47 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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