Chemical ID: 3951081

CC1CCN(CC1)C(=O)CN2c3ccccc3OCC2=O
Chemical ID:
3951081
Name [?]:
10-[(4-methyl-1-piperidyl)carbonylmethyl]-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CC1CCN(CC1)C(=O)CN2c3ccccc3OCC2=O
InChi [?]:
InChI=1/C16H20N2O3/c1-12-6-8-17(9-7-12)15(19)10-18-13-4-2-3-5-14(13)21-11-16(18)20/h2-5,12H,6-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,3,7,4,6,10,19,2,12,17,8,20,5,11,9,21,18/E:(6,7)(8,9)/rA:21nCCCCNCCCOCNCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.16091
Area:469.62
Solvation:-3.57959
Coulombic:-41.4845
Bond Count [?]
All:23
Single:18
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:288.342
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.48
LogP (Chemaxon):0.82

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue