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Chemical ID: 3962050
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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