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Chemical ID: 5157182
Chemical ID:
5157182
Name [?]:
1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)N2CCC(CC2)C(=O)N
InChi [?]:
InChI=1/C15H20N2O4/c1-20-12-7-11(8-13(9-12)21-2)15(19)17-5-3-10(4-6-17)14(16)18/h7-10H,3-6H2,1-2H3,(H2,16,18)
InChi Info:
AuxInfo=1/1/N:1,10,15,17,14,18,4,6,8,16,5,3,7,19,11,21,13,20,12,2,9/E:(1,2)(3,4)(5,6)(7,8)(12,13)(20,21)/rA:21nCOCCCCCCOCCONCCCCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.51662 |
Area: | 484.233 |
Solvation: | -5.58921 |
Coulombic: | -54.4712 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 292.33 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.59 |
LogP (Chemaxon): | -0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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