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Chemical ID: 4395326
Chemical ID:
4395326
Name [?]:
(4-methoxyphenyl)-(4-morpholino-1-piperidyl)-methanone
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCC(CC2)N3CCOCC3
InChi [?]:
InChI=1/C17H24N2O3/c1-21-16-4-2-14(3-5-16)17(20)19-8-6-15(7-9-19)18-10-12-22-13-11-18/h2-5,15H,6-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,13,15,12,16,18,22,19,21,6,14,3,9,17,11,10,2,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:22nCOCCCCCCCONCCCCCNCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.65803 |
Area: | 498.215 |
Solvation: | -4.79735 |
Coulombic: | -37.3062 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.384 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.48 |
LogP (Chemaxon): | 0.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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