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Chemical ID: 6032596
Chemical ID:
6032596
Name [?]:
ethyl 1-[[1-[(2-methyl-3-furyl)carbonyl]-3-piperidyl]carbonyl]piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)C(=O)C2CCCN(C2)C(=O)c3ccoc3C
InChi [?]:
InChI=1/C20H28N2O5/c1-3-26-20(25)16-7-5-9-21(13-16)18(23)15-6-4-10-22(12-15)19(24)17-8-11-27-14(17)2/h8,11,15-16H,3-7,9-10,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,16,8,15,7,23,9,17,24,19,11,26,14,6,22,12,20,4,10,18,13,21,5,3,25/rA:27cCCOCOCCCCNCCOCCCCNCCOCCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s12;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;d23;s24;d22s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N2O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.93945 |
Area: | 584.28 |
Solvation: | -4.66755 |
Coulombic: | -56.7419 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 376.447 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.92 |
LogP (Chemaxon): | 0.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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