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Chemical ID: 7319189
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
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Experimental Annotations
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Descriptor Annotations
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