Chemical ID: 7117643

CC(=O)N1CCN(CC1)C(=O)CN
Chemical ID:
7117643
Name [?]:
1-[4-(2-aminoacetyl)piperazin-1-yl]ethanone
SMILES [?]:
CC(=O)N1CCN(CC1)C(=O)CN
InChi [?]:
InChI=1/C8H15N3O2/c1-7(12)10-2-4-11(5-3-10)8(13)6-9/h2-6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,9,6,8,12,2,10,13,4,7,3,11/E:(2,3)(4,5)/rA:13nCCONCCNCCCOCN/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H15N3O2
All Atoms:28
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.16355
Area:355.018
Solvation:-3.71191
Coulombic:-41.3394
Bond Count [?]
All:13
Single:11
Double:2
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:185.224
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-1.82
LogP (Chemaxon):-2.34

Name Annotations

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Descriptor Annotations

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