Chemical ID: 6032596

CCOC(=O)C1CCCN(C1)C(=O)C2CCCN(C2)C(=O)c3ccoc3C
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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