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Chemical ID: 4017617
Chemical ID:
4017617
Name [?]:
N-allyl-4-(2-furylcarbonyl)piperazine-1-carboxamide
SMILES [?]:
C=CCNC(=O)N1CCN(CC1)C(=O)c2ccco2
InChi [?]:
InChI=1/C13H17N3O3/c1-2-5-14-13(18)16-8-6-15(7-9-16)12(17)11-4-3-10-19-11/h2-4,10H,1,5-9H2,(H,14,18)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,3,9,11,8,12,18,15,13,5,4,10,7,14,6,19/E:(6,7)(8,9)/rA:19nCCCNCONCCNCCCOCCCCO/rB:d1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17N3O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.57882 |
Area: | 460.946 |
Solvation: | -2.94484 |
Coulombic: | -57.1961 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 263.293 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -0.04 |
LogP (Chemaxon): | -0.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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