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Chemical ID: 6391751
Chemical ID:
6391751
Name [?]:
phenyl-[4-(4-pyridylcarbonyl)piperazin-1-yl]-methanone
SMILES [?]:
c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccncc3
InChi [?]:
InChI=1/C17H17N3O2/c21-16(14-4-2-1-3-5-14)19-10-12-20(13-11-19)17(22)15-6-8-18-9-7-15/h1-9H,10-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,18,22,19,21,10,14,11,13,4,17,7,15,20,9,12,8,16/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:22nCCCCCCCONCCNCCCOCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.57557 |
Area: | 484.413 |
Solvation: | -3.53475 |
Coulombic: | -39.3159 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.336 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.47 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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