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Chemical ID: 6032563
Chemical ID:
6032563
Name [?]:
1-[4-[[1-[(2,5-dimethyl-3-furyl)carbonyl]-3-piperidyl]carbonyl]piperazin-1-yl]ethanone
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C(=O)C
InChi [?]:
InChI=1/C19H27N3O4/c1-13-11-17(14(2)26-13)19(25)22-6-4-5-16(12-22)18(24)21-9-7-20(8-10-21)15(3)23/h11,16H,4-10,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,26,12,13,11,20,22,19,23,3,15,2,5,24,14,4,16,8,21,18,10,25,17,9,6/E:(7,8)(9,10)/rA:26cCCCCCOCCONCCCCCCONCCNCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s16;s18;s19;s20;s21;s18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27N3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.38854 |
Area: | 568.829 |
Solvation: | -4.83218 |
Coulombic: | -52.5668 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.435 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | -0.07 |
LogP (Chemaxon): | -0.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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