Chemical ID: 7260084

CC(=O)N1CCN(CC1)C(=O)COc2ccccc2C#N
Chemical ID:
7260084
Name [?]:
2-[(4-acetylpiperazin-1-yl)carbonylmethoxy]benzonitrile
SMILES [?]:
CC(=O)N1CCN(CC1)C(=O)COc2ccccc2C#N
InChi [?]:
InChI=1/C15H17N3O3/c1-12(19)17-6-8-18(9-7-17)15(20)11-21-14-5-3-2-4-13(14)10-16/h2-5H,6-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,5,9,6,8,20,12,2,19,14,10,21,4,7,3,11,13/E:(6,7)(8,9)/rA:21nCCONCCNCCCOCOCCCCCCCN/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N3O3
All Atoms:38
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.22249
Area:496.376
Solvation:-6.1869
Coulombic:-40.6432
Bond Count [?]
All:22
Single:16
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.314
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.41
LogP (Chemaxon):-0.12

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