Chemical ID: 4017617

C=CCNC(=O)N1CCN(CC1)C(=O)c2ccco2
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

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Descriptor Annotations

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