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Chemical ID: 5165284
Chemical ID:
5165284
Name [?]:
1-(4-chlorobenzoyl)-N-(2-ethoxyphenyl)-piperidine-4-carboxamide
SMILES [?]:
CCOc1ccccc1NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H23ClN2O3/c1-2-27-19-6-4-3-5-18(19)23-20(25)15-11-13-24(14-12-15)21(26)16-7-9-17(22)10-8-16/h3-10,15H,2,11-14H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,22,26,23,25,14,18,15,17,13,21,24,9,4,11,19,27,10,16,12,20,3/E:(7,8)(9,10)(11,12)(13,14)/rA:27nCCOCCCCCCNCOCCCNCCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23ClN2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3452 |
Area: | 612.134 |
Solvation: | -3.95813 |
Coulombic: | -46.914 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.872 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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