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Chemical ID: 5829813
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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