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Chemical ID: 3904917
Chemical ID:
3904917
Name [?]:
N-(5-amino-2-methoxy-phenyl)-2-(1-piperidyl)acetamide
SMILES [?]:
COc1ccc(cc1NC(=O)CN2CCCCC2)N
InChi [?]:
InChI=1/C14H21N3O2/c1-19-13-6-5-11(15)9-12(13)16-14(18)10-17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,5,4,14,18,7,12,6,8,3,10,19,9,13,11,2/E:(3,4)(7,8)/rA:19nCOCCCCCCNCOCNCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N3O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.68841 |
Area: | 456.804 |
Solvation: | -3.73168 |
Coulombic: | -48.7607 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.336 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.76 |
LogP (Chemaxon): | 0.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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