tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one

C88H142Br3N15O12 — CID 159441099

About tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one

tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one (PubChem CID 159441099) has the molecular formula C88H142Br3N15O12 and a molecular weight of 1841.91 g/mol. Its IUPAC name is tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

• Compound Name: tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one
• PubChem CID: 159441099
• Molecular Formula: C88H142Br3N15O12
• Molecular Weight: 1841.91 g/mol
• Exact Mass: 1837.85
• IUPAC Name: tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one
• SMILES: C.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCN(c2cc(C(=O)O)cc(NC3CCC3)n2)CC1.CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(Br)n2)CC1.CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(NC3CCC3)n2)CC1.CCN(CC)CC.NC1CCC1
• InChI: InChI=1S/C22H34N4O3.C18H26BrN3O3.C18H26N4O3.C10H11Br2NO2.C9H17NO.C6H15N.C4H9N.CH4/c1-15(2)20(27)26-11-9-25(10-12-26)19-14-16(21(28)29-22(3,4)5)13-18(24-19)23-17-7-6-8-17;1-12(2)16(23)22-8-6-21(7-9-22)15-11-13(10-14(19)20-15)17(24)25-18(3,4)5;1-12(2)17(23)22-8-6-21(7-9-22)16-11-13(18(24)25)10-15(20-16)19-14-4-3-5-14;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-8(2)9(11)10-6-4-3-5-7-10;1-4-7(5-2)6-3;5-4-2-1-3-4;/h13-15,17H,6-12H2,1-5H3,(H,23,24);10-12H,6-9H2,1-5H3;10-12,14H,3-9H2,1-2H3,(H,19,20)(H,24,25);4-5H,1-3H3;8H,3-7H2,1-2H3;4-6H2,1-3H3;4H,1-3,5H2;1H4
• InChIKey: LSEMHLJKSIVLTE-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 312.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1841.91
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one?

The IUPAC name of tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one (CID 159441099) is tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one.

What is the SMILES notation for tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one?

The canonical SMILES for tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one is C.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCN(c2cc(C(=O)O)cc(NC3CCC3)n2)CC1.CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(Br)n2)CC1.CC(C)C(=O)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(NC3CCC3)n2)CC1.CCN(CC)CC.NC1CCC1.

What is the InChIKey of tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one?

The InChIKey is LSEMHLJKSIVLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3.C18H26BrN3O3.C18H26N4O3.C10H11Br2NO2.C9H17NO.C6H15N.C4H9N.CH4/c1-15(2)20(27)26-11-9-25(10-12-26)19-14-16(21(28)29-22(3,4)5)13-18(24-19)23-17-7-6-8-17;1-12(2)16(23)22-8-6-21(7-9-22)15-11-13(10-14(19)20-15)17(24)25-18(3,4)5;1-12(2)17(23)22-8-6-21(7-9-22)16-11-13(18(24)25)10-15(20-16)19-14-4-3-5-14;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-8(2)9(11)10-6-4-3-5-7-10;1-4-7(5-2)6-3;5-4-2-1-3-4;/h13-15,17H,6-12H2,1-5H3,(H,23,24);10-12H,6-9H2,1-5H3;10-12,14H,3-9H2,1-2H3,(H,19,20)(H,24,25);4-5H,1-3H3;8H,3-7H2,1-2H3;4-6H2,1-3H3;4H,1-3,5H2;1H4.

What are the key properties of tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one?

tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 1841.91 g/mol, XLogP of 16.16, 18 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-bromo-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridine-4-carboxylic acid;N,N-diethylethanamine;methane;2-methyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 159441099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).