ChemDB: Chemical Search
Download
Chemical ID: 4203988
Chemical ID:
4203988
Name [?]:
1-[(4-methoxyphenyl)methyl]-N-phenethyl-piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1)CN2CCC(CC2)C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C22H28N2O2/c1-26-21-9-7-19(8-10-21)17-24-15-12-20(13-16-24)22(25)23-14-11-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,5,7,4,8,20,12,14,19,11,15,9,21,6,13,3,16,18,10,17,2/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:26nCOCCCCCCCNCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8753 |
Area: | 606.837 |
Solvation: | -4.29563 |
Coulombic: | -34.6903 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.14 |
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 |
---|