ChemDB: Chemical Search
Download
Chemical ID: 3939512
Chemical ID:
3939512
Name [?]:
N-(2,6-dimethylphenyl)-4-(4-methoxybenzoyl)amino-piperidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1NC(=O)N2CCC(CC2)NC(=O)c3ccc(cc3)OC)C
InChi [?]:
InChI=1/C22H27N3O3/c1-15-5-4-6-16(2)20(15)24-22(27)25-13-11-18(12-14-25)23-21(26)17-7-9-19(28-3)10-8-17/h4-10,18H,11-14H2,1-3H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,28,27,4,3,5,21,25,22,24,13,15,12,16,2,6,20,14,23,7,18,9,17,8,11,19,10,26/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:28nCCCCCCCNCONCCCCCNCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9886 |
Area: | 615.572 |
Solvation: | -4.40069 |
Coulombic: | -59.4219 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 381.468 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.19 |
LogP (Chemaxon): | 1.74 |
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 |
---|