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Chemical ID: 7117643
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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Experimental Annotations
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Descriptor Annotations
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