ChemDB: Chemical Search
Download
Chemical ID: 5610544
Chemical ID:
5610544
Name [?]:
methyl 4-(1-piperidylcarbonyl)benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)C(=O)N2CCCCC2
InChi [?]:
InChI=1/C14H17NO3/c1-18-14(17)12-7-5-11(6-8-12)13(16)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,7,9,6,10,14,18,8,5,11,3,13,12,4,2/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCOCOCCCCCCCONCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.41848 |
Area: | 435.851 |
Solvation: | -2.4778 |
Coulombic: | -37.86 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 247.29 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.37 |
LogP (Chemaxon): | 1.46 |
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 |
---|