Chemical ID: 5829813

c1ccnc(c1)CN2CCC(CC2)C(=O)N3CCOCC3
Chemical ID:
5829813
Name [?]:
morpholino-[1-(2-pyridylmethyl)-4-piperidyl]-methanone
SMILES [?]:
c1ccnc(c1)CN2CCC(CC2)C(=O)N3CCOCC3
InChi [?]:
InChI=1/C16H23N3O2/c20-16(19-9-11-21-12-10-19)14-4-7-18(8-5-14)13-15-3-1-2-6-17-15/h1-3,6,14H,4-5,7-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,12,3,9,13,17,21,18,20,7,11,5,14,4,8,16,15,19/E:(4,5)(7,8)(9,10)(11,12)/rA:21nCCCNCCCNCCCCCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23N3O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.22842
Area:486.707
Solvation:-4.93925
Coulombic:-32.3557
Bond Count [?]
All:23
Single:19
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.373
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.06
LogP (Chemaxon):0.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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