dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid

C83H129Br3F3K2N13O16 — CID 159644002

IUPACdipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid
SMILESC.C.C1CCCCC1.CC(=O)N1CCC(N)CC1.CC(=O)N1CCC(Nc2cc(C(=O)O)cc(N3CCCCC3)n2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)OC(C)(C)C)cc(N3CCCCC3)n2)CC1.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.CC(C)(C)OC(=O)c1cc(Br)nc(N2CCCCC2)c1.O=C(O)C(F)(F)F.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C22H34N4O3.C18H26N4O3.C15H21BrN2O2.C10H11Br2NO2.C7H14N2O.C6H12.C2HF3O2.CH2O3.2CH4.2K.H/c1-16(27)25-12-8-18(9-13-25)23-19-14-17(21(28)29-22(2,3)4)15-20(24-19)26-10-6-5-7-11-26;1-13(23)21-9-5-15(6-10-21)19-16-11-14(18(24)25)12-17(20-16)22-7-3-2-4-8-22;1-15(2,3)20-14(19)11-9-12(16)17-13(10-11)18-7-5-4-6-8-18;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-6(10)9-4-2-7(8)3-5-9;1-2-4-6-5-3-1;3-2(4,5)1(6)7;2-1-4-3;;;;;/h14-15,18H,5-13H2,1-4H3,(H,23,24);11-12,15H,2-10H2,1H3,(H,19,20)(H,24,25);9-10H,4-8H2,1-3H3;4-5H,1-3H3;7H,2-5,8H2,1H3;1-6H2;(H,6,7);1,3H;2*1H4;;;/q;;;;;;;;;;2*+1;-1/p-1
InChIKeyXGLNUKZUGMVRJV-UHFFFAOYSA-M
MW1939.92 g/mol
LogP9.75
Rot. Bonds12

About dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid

dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid (PubChem CID 159644002) has the molecular formula C83H129Br3F3K2N13O16 and a molecular weight of 1939.92 g/mol. Its IUPAC name is dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namedipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid
PubChem CID159644002
Molecular FormulaC83H129Br3F3K2N13O16
Molecular Weight1939.92 g/mol
Exact Mass1935.65
IUPAC Namedipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid
SMILESC.C.C1CCCCC1.CC(=O)N1CCC(N)CC1.CC(=O)N1CCC(Nc2cc(C(=O)O)cc(N3CCCCC3)n2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)OC(C)(C)C)cc(N3CCCCC3)n2)CC1.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.CC(C)(C)OC(=O)c1cc(Br)nc(N2CCCCC2)c1.O=C(O)C(F)(F)F.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C22H34N4O3.C18H26N4O3.C15H21BrN2O2.C10H11Br2NO2.C7H14N2O.C6H12.C2HF3O2.CH2O3.2CH4.2K.H/c1-16(27)25-12-8-18(9-13-25)23-19-14-17(21(28)29-22(2,3)4)15-20(24-19)26-10-6-5-7-11-26;1-13(23)21-9-5-15(6-10-21)19-16-11-14(18(24)25)12-17(20-16)22-7-3-2-4-8-22;1-15(2,3)20-14(19)11-9-12(16)17-13(10-11)18-7-5-4-6-8-18;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-6(10)9-4-2-7(8)3-5-9;1-2-4-6-5-3-1;3-2(4,5)1(6)7;2-1-4-3;;;;;/h14-15,18H,5-13H2,1-4H3,(H,23,24);11-12,15H,2-10H2,1H3,(H,19,20)(H,24,25);9-10H,4-8H2,1-3H3;4-5H,1-3H3;7H,2-5,8H2,1H3;1-6H2;(H,6,7);1,3H;2*1H4;;;/q;;;;;;;;;;2*+1;-1/p-1
InChIKeyXGLNUKZUGMVRJV-UHFFFAOYSA-M
XLogP9.75
TPSA375.15 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001939.92
LogP ≤ 59.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid?
The IUPAC name of dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid (CID 159644002) is dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid?
The canonical SMILES for dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid is C.C.C1CCCCC1.CC(=O)N1CCC(N)CC1.CC(=O)N1CCC(Nc2cc(C(=O)O)cc(N3CCCCC3)n2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)OC(C)(C)C)cc(N3CCCCC3)n2)CC1.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.CC(C)(C)OC(=O)c1cc(Br)nc(N2CCCCC2)c1.O=C(O)C(F)(F)F.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid?
The InChIKey is XGLNUKZUGMVRJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H34N4O3.C18H26N4O3.C15H21BrN2O2.C10H11Br2NO2.C7H14N2O.C6H12.C2HF3O2.CH2O3.2CH4.2K.H/c1-16(27)25-12-8-18(9-13-25)23-19-14-17(21(28)29-22(2,3)4)15-20(24-19)26-10-6-5-7-11-26;1-13(23)21-9-5-15(6-10-21)19-16-11-14(18(24)25)12-17(20-16)22-7-3-2-4-8-22;1-15(2,3)20-14(19)11-9-12(16)17-13(10-11)18-7-5-4-6-8-18;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-6(10)9-4-2-7(8)3-5-9;1-2-4-6-5-3-1;3-2(4,5)1(6)7;2-1-4-3;;;;;/h14-15,18H,5-13H2,1-4H3,(H,23,24);11-12,15H,2-10H2,1H3,(H,19,20)(H,24,25);9-10H,4-8H2,1-3H3;4-5H,1-3H3;7H,2-5,8H2,1H3;1-6H2;(H,6,7);1,3H;2*1H4;;;/q;;;;;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid?
dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid has a molecular weight of 1939.92 g/mol, XLogP of 9.75, 12 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;tert-butyl 2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2-bromo-6-piperidin-1-ylpyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclohexane;hydride;methane;oxido formate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159644002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).