Chemical ID: 4395326

COc1ccc(cc1)C(=O)N2CCC(CC2)N3CCOCC3
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

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Descriptor Annotations

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