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Chemical ID: 6450506
Chemical ID:
6450506
Name [?]:
[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridyl]-pyrrolidin-1-yl-methanone
SMILES [?]:
c1cc(c(nc1)N2CCN(CC2)CCO)C(=O)N3CCCC3
InChi [?]:
InChI=1/C16H24N4O2/c21-13-12-18-8-10-19(11-9-18)15-14(4-3-5-17-15)16(22)20-6-1-2-7-20/h3-5,21H,1-2,6-13H2
InChi Info:
AuxInfo=1/0/N:20,21,1,2,6,19,22,9,11,8,12,13,14,3,4,16,5,10,7,18,15,17/E:(1,2)(6,7)(8,9)(10,11)/rA:22nCCCCNCNCCNCCCCOCONCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;s3;d16;s16;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N4O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.45942 |
Area: | 497.544 |
Solvation: | -4.97917 |
Coulombic: | -48.6447 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.388 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.69 |
LogP (Chemaxon): | 0.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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