Chemical ID: 3951247

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCC(CC3)C
Chemical ID:
3951247
Name [?]:
8-methyl-5-[(4-methyl-1-piperidyl)carbonylmethyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCC(CC3)C
InChi [?]:
InChI=1/C17H22N2O3/c1-12-5-7-18(8-6-12)16(20)10-19-14-9-13(2)3-4-15(14)22-11-17(19)21/h3-4,9,12H,5-8,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:22,1,3,4,18,20,17,21,7,13,11,19,2,6,5,14,9,16,8,15,10,12/E:(5,6)(7,8)/rA:22nCCCCCCCNCOCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s18;s19;s16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.13424
Area:491.975
Solvation:-4.16515
Coulombic:-40.6188
Bond Count [?]
All:24
Single:19
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.368
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.92
LogP (Chemaxon):1.29

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