Chemical ID: 6450506

c1cc(c(nc1)N2CCN(CC2)CCO)C(=O)N3CCCC3
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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