Chemical ID: 6391751

c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccncc3
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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Descriptor Annotations

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