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Chemical ID: 7177204
Chemical ID:
7177204
Name [?]:
ethyl 1-propanoylpiperidine-4-carboxylate
SMILES [?]:
CCC(=O)N1CCC(CC1)C(=O)OCC
InChi [?]:
InChI=1/C11H19NO3/c1-3-10(13)12-7-5-9(6-8-12)11(14)15-4-2/h9H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,14,7,9,6,10,8,3,11,5,4,12,13/E:(5,6)(7,8)/rA:15nCCCONCCCCCCOOCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19NO3 |
All Atoms: | 34 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.3809 |
Area: | 406.873 |
Solvation: | -2.79093 |
Coulombic: | -33.2745 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 213.273 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.76 |
LogP (Chemaxon): | 0.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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