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Chemical ID: 5517355
Chemical ID:
5517355
Name [?]:
N,N-diethyl-4-(2-furylcarbonyl)piperazine-1-carboxamide
SMILES [?]:
CCN(CC)C(=O)N1CCN(CC1)C(=O)c2ccco2
InChi [?]:
InChI=1/C14H21N3O3/c1-3-15(4-2)14(19)17-9-7-16(8-10-17)13(18)12-6-5-11-20-12/h5-6,11H,3-4,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,18,17,10,12,9,13,19,16,14,6,3,11,8,15,7,20/E:(1,2)(3,4)(7,8)(9,10)/rA:20nCCNCCCONCCNCCCOCCCCO/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N3O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.63232 |
Area: | 463.647 |
Solvation: | -2.95886 |
Coulombic: | -51.4077 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 279.335 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.33 |
LogP (Chemaxon): | 0.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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