Chemical ID: 7244437

Cc1cccc(c1NC(=O)CN2CCNCC2)C
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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