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Chemical ID: 6032474
Chemical ID:
6032474
Name [?]:
ethyl 1-[[1-(3-furylcarbonyl)-3-piperidyl]carbonyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)C(=O)c3ccoc3
InChi [?]:
InChI=1/C19H26N2O5/c1-2-26-19(24)14-5-9-20(10-6-14)17(22)15-4-3-8-21(12-15)18(23)16-7-11-25-13-16/h7,11,13-15H,2-6,8-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,7,11,23,17,8,10,24,19,26,6,14,22,12,20,4,9,18,13,21,5,25,3/E:(5,6)(9,10)/rA:26cCCOCOCCCNCCCOCCCCNCCOCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;d23;s24;d22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.6395 |
Area: | 580.255 |
Solvation: | -4.86688 |
Coulombic: | -56.5615 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 362.42 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.68 |
LogP (Chemaxon): | 0.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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