Chemical ID: 3957929

c1cc2c(cc1C3(CCN(CC3)CC(=O)N4CCCC4)O)OCO2
Chemical ID:
3957929
Name [?]:
2-(4-benzo[1,3]dioxol-5-yl-4-hydroxy-1-piperidyl)-1-pyrrolidin-1-yl-ethanone
SMILES [?]:
c1cc2c(cc1C3(CCN(CC3)CC(=O)N4CCCC4)O)OCO2
InChi [?]:
InChI=1/C18H24N2O4/c21-17(20-7-1-2-8-20)12-19-9-5-18(22,6-10-19)14-3-4-15-16(11-14)24-13-23-15/h3-4,11,22H,1-2,5-10,12-13H2
InChi Info:
AuxInfo=1/0/N:18,19,1,2,8,12,17,20,9,11,5,13,23,6,3,4,14,7,10,16,15,21,24,22/E:(1,2)(5,6)(7,8)(9,10)/rA:24nCCCCCCCCCNCCCCONCCCCOOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s10;s13;d14;s14;s16;s17;s18;s16s19;s7;s4;s22;s3s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.02316
Area:529.455
Solvation:-5.21322
Coulombic:-53.7113
Bond Count [?]
All:27
Single:23
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.394
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.94
LogP (Chemaxon):0.4

Name Annotations

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Descriptor Annotations

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