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Chemical ID: 7244437
Chemical ID:
7244437
Name [?]:
N-(2,6-dimethylphenyl)-2-piperazin-1-yl-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)CN2CCNCC2)C
InChi [?]:
InChI=1/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,18,4,3,5,14,16,13,17,11,2,6,9,7,15,8,12,10/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:18nCCCCCCCNCOCNCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N3O |
All Atoms: | 39 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.8022 |
Area: | 434.264 |
Solvation: | -3.0544 |
Coulombic: | -33.3962 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 247.336 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.66 |
LogP (Chemaxon): | 0.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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