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Chemical ID: 6032619
Chemical ID:
6032619
Name [?]:
N-(2-furylmethyl)-1-[(2-methyl-3-furyl)carbonyl]piperidine-3-carboxamide
SMILES [?]:
Cc1c(cco1)C(=O)N2CCCC(C2)C(=O)NCc3ccco3
InChi [?]:
InChI=1/C17H20N2O4/c1-12-15(6-9-22-12)17(21)19-7-2-4-13(11-19)16(20)18-10-14-5-3-8-23-14/h3,5-6,8-9,13H,2,4,7,10-11H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,11,21,12,20,4,10,22,5,18,14,2,13,19,3,15,7,17,9,16,8,6,23/rA:23cCCCCCOCONCCCCCCONCCCCCO/rB:s1;d2;s3;d4;s2s5;s3;d7;s7;s9;s10;s11;s12;s9s13;s13;d15;s15;s17;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.40058 |
Area: | 527.97 |
Solvation: | -4.79867 |
Coulombic: | -49.8492 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 316.352 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.52 |
LogP (Chemaxon): | 0.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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