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Chemical ID: 3951081
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
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Experimental Annotations
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Descriptor Annotations
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