ChemDB: Chemical Search
Download
Chemical ID: 4407108
Chemical ID:
4407108
Name [?]:
1-(2-chlorobenzoyl)-N-(3,4-dimethoxyphenyl)-piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1OC)NC(=O)C2CCN(CC2)C(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C21H23ClN2O4/c1-27-18-8-7-15(13-19(18)28-2)23-20(25)14-9-11-24(12-10-14)21(26)16-5-3-4-6-17(16)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,10,24,25,23,26,5,4,15,19,16,18,7,14,6,22,27,3,8,12,20,28,11,17,13,21,2,9/E:(9,10)(11,12)/rA:28nCOCCCCCCOCNCOCCCNCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23ClN2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47741 |
Area: | 611.655 |
Solvation: | -6.81395 |
Coulombic: | -51.2079 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 402.871 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.03 |
LogP (Chemaxon): | 2.8 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|