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Chemical ID: 6032625
Chemical ID:
6032625
Name [?]:
(2-methyl-3-furyl)-(3-morpholinocarbonyl-1-piperidyl)-methanone
SMILES [?]:
Cc1c(cco1)C(=O)N2CCCC(C2)C(=O)N3CCOCC3
InChi [?]:
InChI=1/C16H22N2O4/c1-12-14(4-8-22-12)16(20)18-5-2-3-13(11-18)15(19)17-6-9-21-10-7-17/h4,8,13H,2-3,5-7,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,4,10,18,22,5,19,21,14,2,13,3,15,7,17,9,16,8,20,6/E:(6,7)(9,10)/rA:22cCCCCCOCONCCCCCCONCCOCC/rB:s1;d2;s3;d4;s2s5;s3;d7;s7;s9;s10;s11;s12;s9s13;s13;d15;s15;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.31026 |
Area: | 488.051 |
Solvation: | -4.89102 |
Coulombic: | -46.273 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 306.357 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | -0.14 |
LogP (Chemaxon): | -0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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