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Chemical ID: 3947127
Chemical ID:
3947127
Name [?]:
N'-cyclohexyl-N-(3-methoxyphenyl)-piperidine-1,3-dicarboxamide
SMILES [?]:
COc1cccc(c1)NC(=O)N2CCCC(C2)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C20H29N3O3/c1-26-18-11-5-10-17(13-18)22-20(25)23-12-6-7-15(14-23)19(24)21-16-8-3-2-4-9-16/h5,10-11,13,15-16H,2-4,6-9,12,14H2,1H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,5,14,15,22,26,6,4,13,8,17,16,21,7,3,18,10,20,9,12,19,11,2/E:(3,4)(8,9)/rA:26cCOCCCCCCNCONCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H29N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8138 |
Area: | 587.29 |
Solvation: | -3.86841 |
Coulombic: | -58.459 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 359.463 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.51 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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