ChemDB: Chemical Search
Download
Chemical ID: 6524947
Chemical ID:
6524947
Name [?]:
ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)C(=O)Nc2ccccc2
InChi [?]:
InChI=1/C15H20N2O3/c1-2-20-14(18)12-7-6-10-17(11-12)15(19)16-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,19,8,7,16,20,9,11,6,15,4,12,14,10,5,13,3/E:(4,5)(8,9)/rA:20cCCOCOCCCCNCCONCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.39956 |
Area: | 484.856 |
Solvation: | -2.72183 |
Coulombic: | -49.0771 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 276.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.72 |
LogP (Chemaxon): | 2.16 |
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 |
---|