2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride

C50H74Cl2I78N6O11-2 — CID 157110189

IUPAC2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride
SMILESCCOC(=O)c1cc(CC2CCN(C(C)=O)CC2)ncc1OCC.CCOC(=O)c1cc(CC2CCNCC2)ncc1OCC.CCOc1cnc(CC2CCN(C(C)=O)CC2)cc1C(=O)O.Cl.Cl.II(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.I[I-]I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.I[I-]I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I
InChIInChI=1S/C18H26N2O4.C16H22N2O4.C16H24N2O3.2ClH.I27.I26.I25/c1-4-23-17-12-19-15(11-16(17)18(22)24-5-2)10-14-6-8-20(9-7-14)13(3)21;1-3-22-15-10-17-13(9-14(15)16(20)21)8-12-4-6-18(7-5-12)11(2)19;1-3-20-15-11-18-13(9-12-5-7-17-8-6-12)10-14(15)16(19)21-4-2;;;1-15-17(4)19(6)21(8)23(10)25(12)27(14)26(13)24(11)22(9)20(7)18(5)16(2)3;1-15(2)17(5)19(7)21(9)23(11)25(13)26(14)24(12)22(10)20(8)18(6)16(3)4;1-14-16(4)18(6)20(8)22(10)24(12)25(13)23(11)21(9)19(7)17(5)15(2)3/h11-12,14H,4-10H2,1-3H3;9-10,12H,3-8H2,1-2H3,(H,20,21);10-12,17H,3-9H2,1-2H3;2*1H;;;/q;;;;;-1;;-1
InChIKeyNUISMZGHCXKHLA-UHFFFAOYSA-N
MW10904.59 g/mol
LogP68.80
Rot. Bonds51

About 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride

2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride (PubChem CID 157110189) has the molecular formula C50H74Cl2I78N6O11-2 and a molecular weight of 10904.59 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride.

Molecular Properties

Compound Name2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride
PubChem CID157110189
Molecular FormulaC50H74Cl2I78N6O11-2
Molecular Weight10904.59 g/mol
Exact Mass10903.03
IUPAC Name2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride
SMILESCCOC(=O)c1cc(CC2CCN(C(C)=O)CC2)ncc1OCC.CCOC(=O)c1cc(CC2CCNCC2)ncc1OCC.CCOc1cnc(CC2CCN(C(C)=O)CC2)cc1C(=O)O.Cl.Cl.II(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.I[I-]I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.I[I-]I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I
InChIInChI=1S/C18H26N2O4.C16H22N2O4.C16H24N2O3.2ClH.I27.I26.I25/c1-4-23-17-12-19-15(11-16(17)18(22)24-5-2)10-14-6-8-20(9-7-14)13(3)21;1-3-22-15-10-17-13(9-14(15)16(20)21)8-12-4-6-18(7-5-12)11(2)19;1-3-20-15-11-18-13(9-12-5-7-17-8-6-12)10-14(15)16(19)21-4-2;;;1-15-17(4)19(6)21(8)23(10)25(12)27(14)26(13)24(11)22(9)20(7)18(5)16(2)3;1-15(2)17(5)19(7)21(9)23(11)25(13)26(14)24(12)22(10)20(8)18(6)16(3)4;1-14-16(4)18(6)20(8)22(10)24(12)25(13)23(11)21(9)19(7)17(5)15(2)3/h11-12,14H,4-10H2,1-3H3;9-10,12H,3-8H2,1-2H3,(H,20,21);10-12,17H,3-9H2,1-2H3;2*1H;;;/q;;;;;-1;;-1
InChIKeyNUISMZGHCXKHLA-UHFFFAOYSA-N
XLogP68.80
TPSA208.91 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds51
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 50010904.59
LogP ≤ 568.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride?
The IUPAC name of 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride (CID 157110189) is 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride.
What is the SMILES notation for 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride?
The canonical SMILES for 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride is CCOC(=O)c1cc(CC2CCN(C(C)=O)CC2)ncc1OCC.CCOC(=O)c1cc(CC2CCNCC2)ncc1OCC.CCOc1cnc(CC2CCN(C(C)=O)CC2)cc1C(=O)O.Cl.Cl.II(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.I[I-]I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.I[I-]I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.
What is the InChIKey of 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride?
The InChIKey is NUISMZGHCXKHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4.C16H22N2O4.C16H24N2O3.2ClH.I27.I26.I25/c1-4-23-17-12-19-15(11-16(17)18(22)24-5-2)10-14-6-8-20(9-7-14)13(3)21;1-3-22-15-10-17-13(9-14(15)16(20)21)8-12-4-6-18(7-5-12)11(2)19;1-3-20-15-11-18-13(9-12-5-7-17-8-6-12)10-14(15)16(19)21-4-2;;;1-15-17(4)19(6)21(8)23(10)25(12)27(14)26(13)24(11)22(9)20(7)18(5)16(2)3;1-15(2)17(5)19(7)21(9)23(11)25(13)26(14)24(12)22(10)20(8)18(6)16(3)4;1-14-16(4)18(6)20(8)22(10)24(12)25(13)23(11)21(9)19(7)17(5)15(2)3/h11-12,14H,4-10H2,1-3H3;9-10,12H,3-8H2,1-2H3,(H,20,21);10-12,17H,3-9H2,1-2H3;2*1H;;;/q;;;;;-1;;-1.
What are the key properties of 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride?
2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride has a molecular weight of 10904.59 g/mol, XLogP of 68.80, 51 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylic acid;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-[(1-acetylpiperidin-4-yl)methyl]-5-ethoxypyridine-4-carboxylate;ethyl 5-ethoxy-2-(piperidin-4-ylmethyl)pyridine-4-carboxylate;dihydrochloride is sourced from PubChem (CID 157110189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).