Chemical ID: 6481424

CC(=O)N1CCC(CC1)N(C2CC2)C(=O)Nc3cccc(c3)Cl
Chemical ID:
6481424
Name [?]:
1-(1-acetyl-4-piperidyl)-3-(3-chlorophenyl)-1-cyclopropyl-urea
SMILES [?]:
CC(=O)N1CCC(CC1)N(C2CC2)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C17H22ClN3O2/c1-12(22)20-9-7-16(8-10-20)21(15-5-6-15)17(23)19-14-4-2-3-13(18)11-14/h2-4,11,15-16H,5-10H2,1H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,12,13,6,8,5,9,22,2,21,17,11,7,14,23,16,4,10,3,15/E:(5,6)(7,8)(9,10)/rA:23nCCONCCCCCNCCCCONCCCCCCCl/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;s11s12;s10;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22ClN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4664
Area:542.029
Solvation:-3.08432
Coulombic:-45.434
Bond Count [?]
All:25
Single:20
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.828
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.41
LogP (Chemaxon):1.79

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