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Chemical ID: 6032555
Chemical ID:
6032555
Name [?]:
ethyl 1-[[1-[(2,5-dimethyl-3-furyl)carbonyl]-3-piperidyl]carbonyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)C(=O)c3cc(oc3C)C
InChi [?]:
InChI=1/C21H30N2O5/c1-4-27-21(26)16-7-10-22(11-8-16)19(24)17-6-5-9-23(13-17)20(25)18-12-14(2)28-15(18)3/h12,16-17H,4-11,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,27,2,16,15,7,11,17,8,10,23,19,24,26,6,14,22,12,20,4,9,18,13,21,5,3,25/E:(7,8)(10,11)/rA:28cCCOCOCCCNCCCOCCCCNCCOCCCOCCC/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;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30N2O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.93 |
Area: | 621.372 |
Solvation: | -4.60428 |
Coulombic: | -56.4585 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 390.473 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.15 |
LogP (Chemaxon): | 0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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