cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate

C83H110N16O10 — CID 158865754

About cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate

cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate (PubChem CID 158865754) has the molecular formula C83H110N16O10 and a molecular weight of 1491.89 g/mol. Its IUPAC name is cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate
• PubChem CID: 158865754
• Molecular Formula: C83H110N16O10
• Molecular Weight: 1491.89 g/mol
• Exact Mass: 1490.86
• IUPAC Name: cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate
• SMILES: COC(=O)c1ccncc1Cc1cn(C2CCN(C3CCC3)CC2)nc1C.COC(=O)c1ccncc1Cc1cn(C2CCNCC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCNCC2)c1C.Cc1nn(C2CCN(C3CCC3)CC2)cc1Cc1cnccc1C(=O)O.O=C1CCC1.O=C1CCC1
• InChI: InChI=1S/C21H28N4O2.C20H26N4O2.2C17H22N4O2.2C4H6O/c1-15-17(12-16-13-22-9-6-20(16)21(26)27-2)14-25(23-15)19-7-10-24(11-8-19)18-4-3-5-18;1-14-16(11-15-12-21-8-5-19(15)20(25)26)13-24(22-14)18-6-9-23(10-7-18)17-3-2-4-17;1-12-13(11-20-21(12)15-3-6-18-7-4-15)9-14-10-19-8-5-16(14)17(22)23-2;1-12-14(11-21(20-12)15-3-6-18-7-4-15)9-13-10-19-8-5-16(13)17(22)23-2;2*5-4-2-1-3-4/h6,9,13-14,18-19H,3-5,7-8,10-12H2,1-2H3;5,8,12-13,17-18H,2-4,6-7,9-11H2,1H3,(H,25,26);2*5,8,10-11,15,18H,3-4,6-7,9H2,1-2H3;2*1-3H2
• InChIKey: JBFCUGBOXUUMMA-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 303.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.89
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate?

The IUPAC name of cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate (CID 158865754) is cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate.

What is the SMILES notation for cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate?

The canonical SMILES for cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate is COC(=O)c1ccncc1Cc1cn(C2CCN(C3CCC3)CC2)nc1C.COC(=O)c1ccncc1Cc1cn(C2CCNCC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCNCC2)c1C.Cc1nn(C2CCN(C3CCC3)CC2)cc1Cc1cnccc1C(=O)O.O=C1CCC1.O=C1CCC1.

What is the InChIKey of cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate?

The InChIKey is JBFCUGBOXUUMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2.C20H26N4O2.2C17H22N4O2.2C4H6O/c1-15-17(12-16-13-22-9-6-20(16)21(26)27-2)14-25(23-15)19-7-10-24(11-8-19)18-4-3-5-18;1-14-16(11-15-12-21-8-5-19(15)20(25)26)13-24(22-14)18-6-9-23(10-7-18)17-3-2-4-17;1-12-13(11-20-21(12)15-3-6-18-7-4-15)9-14-10-19-8-5-16(14)17(22)23-2;1-12-14(11-21(20-12)15-3-6-18-7-4-15)9-13-10-19-8-5-16(13)17(22)23-2;2*5-4-2-1-3-4/h6,9,13-14,18-19H,3-5,7-8,10-12H2,1-2H3;5,8,12-13,17-18H,2-4,6-7,9-11H2,1H3,(H,25,26);2*5,8,10-11,15,18H,3-4,6-7,9H2,1-2H3;2*1-3H2.

What are the key properties of cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate?

cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate has a molecular weight of 1491.89 g/mol, XLogP of 11.47, 18 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutanone;3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-cyclobutylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate is sourced from PubChem (CID 158865754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).