Chemical ID: 3962050

c1cc(ccc1NC(=O)CN2CCC(CC2)(c3ccc4c(c3)OCO4)O)F
Chemical ID:
3962050
Name [?]:
2-(4-benzo[1,3]dioxol-5-yl-4-hydroxy-1-piperidyl)-N-(4-fluorophenyl)-acetamide
SMILES [?]:
c1cc(ccc1NC(=O)CN2CCC(CC2)(c3ccc4c(c3)OCO4)O)F
InChi [?]:
InChI=1/C20H21FN2O4/c21-15-2-4-16(5-3-15)22-19(24)12-23-9-7-20(25,8-10-23)14-1-6-17-18(11-14)27-13-26-17/h1-6,11,25H,7-10,12-13H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:18,2,4,1,5,19,13,15,12,16,22,10,24,17,3,6,20,21,8,14,27,7,11,9,26,25,23/E:(2,3)(4,5)(7,8)(9,10)/rA:27nCCCCCCNCOCNCCCCCCCCCCCOCOOF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s21;s23;s20s24;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21FN2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.0421
Area:564.31
Solvation:-6.06566
Coulombic:-61.9547
Bond Count [?]
All:30
Single:23
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:372.39
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.02
LogP (Chemaxon):2.13

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Descriptor Annotations

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