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Chemical ID: 7328864
Chemical ID:
7328864
Name [?]:
N-[2-(4-benzoylpiperazin-1-yl)carbonylethyl]acetamide
SMILES [?]:
CC(=O)NCCC(=O)N1CCN(CC1)C(=O)c2ccccc2
InChi [?]:
InChI=1/C16H21N3O3/c1-13(20)17-8-7-15(21)18-9-11-19(12-10-18)16(22)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,6,5,10,14,11,13,2,17,7,15,4,9,12,3,8,16/E:(3,4)(5,6)(9,10)(11,12)/rA:22nCCONCCCONCCNCCCOCCCCCC/rB:s1;d2;s2;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21N3O3 |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67769 |
Area: | 524.029 |
Solvation: | -4.42303 |
Coulombic: | -52.2304 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 303.356 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.33 |
LogP (Chemaxon): | -0.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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