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Chemical ID: 6616649
Chemical ID:
6616649
Name [?]:
1-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C21H24N2O4/c1-26-17-9-7-16(8-10-17)21(25)23-13-11-15(12-14-23)20(24)22-18-5-3-4-6-19(18)27-2/h3-10,15H,11-14H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,22,23,21,24,5,7,4,8,13,15,12,16,14,6,3,20,25,17,9,19,11,18,10,2,26/E:(7,8)(9,10)(11,12)(13,14)/rA:27nCOCCCCCCCONCCCCCCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27639 |
Area: | 587.126 |
Solvation: | -5.40176 |
Coulombic: | -52.7155 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 368.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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