Chemical ID: 7244808

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CCl
Chemical ID:
7244808
Name [?]:
2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone
SMILES [?]:
C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CCl
InChi [?]:
InChI=1/C12H20ClN3O2/c13-9-11(17)16-7-5-14(6-8-16)10-12(18)15-3-1-2-4-15/h1-10H2
InChi Info:
AuxInfo=1/0/N:1,2,5,3,10,14,11,13,17,8,15,6,18,9,4,12,16,7/E:(1,2)(3,4)(5,6)(7,8)/rA:18nCCCNCCOCNCCNCCCOCCl/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20ClN3O2
All Atoms:38
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.07608
Area:462.516
Solvation:-4.4868
Coulombic:-35.0732
Bond Count [?]
All:19
Single:17
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.759
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:-0.45
LogP (Chemaxon):-0.65

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue