Chemical ID: 7319189

CCOC(=O)C1CCN(CC1)CC(=O)Nc2ccc3c(c2)OCO3
Chemical ID:
7319189
Name [?]:
ethyl 1-(benzo[1,3]dioxol-5-ylcarbamoylmethyl)piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)CC(=O)Nc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C17H22N2O5/c1-2-22-17(21)12-5-7-19(8-6-12)10-16(20)18-13-3-4-14-15(9-13)24-11-23-14/h3-4,9,12H,2,5-8,10-11H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,7,11,8,10,21,12,23,6,16,19,20,13,4,15,9,14,5,3,24,22/E:(5,6)(7,8)/rA:24nCCOCOCCCNCCCCONCCCCCCOCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O5
All Atoms:46
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.18954
Area:549.387
Solvation:-5.54512
Coulombic:-58.1731
Bond Count [?]
All:26
Single:21
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.367
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.22
LogP (Chemaxon):1.35

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue