[4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate

C40H54N4O6 — CID 146457417

About [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate

[4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate (PubChem CID 146457417) has the molecular formula C40H54N4O6 and a molecular weight of 686.89 g/mol. Its IUPAC name is [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate.

Molecular Properties

• Compound Name: [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate
• PubChem CID: 146457417
• Molecular Formula: C40H54N4O6
• Molecular Weight: 686.89 g/mol
• Exact Mass: 686.40
• IUPAC Name: [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate
• SMILES: COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CCC(O)CC4)CC3)c3cc(-c4coc(C(C)(C)C)n4)ccn3)CC2)cc1C
• InChI: InChI=1S/C40H54N4O6/c1-26-22-30(12-15-35(26)48-5)28-8-6-27(7-9-28)24-44(36-23-31(16-19-41-36)34-25-49-38(42-34)40(2,3)4)37(46)29-10-13-33(14-11-29)50-39(47)43-20-17-32(45)18-21-43/h12,15-16,19,22-23,25,27-29,32-33,45H,6-11,13-14,17-18,20-21,24H2,1-5H3
• InChIKey: QCKHYCYWMPTGCW-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 118.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.89
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate?

The IUPAC name of [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate (CID 146457417) is [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate.

What is the SMILES notation for [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate?

The canonical SMILES for [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate is COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CCC(O)CC4)CC3)c3cc(-c4coc(C(C)(C)C)n4)ccn3)CC2)cc1C.

What is the InChIKey of [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate?

The InChIKey is QCKHYCYWMPTGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H54N4O6/c1-26-22-30(12-15-35(26)48-5)28-8-6-27(7-9-28)24-44(36-23-31(16-19-41-36)34-25-49-38(42-34)40(2,3)4)37(46)29-10-13-33(14-11-29)50-39(47)43-20-17-32(45)18-21-43/h12,15-16,19,22-23,25,27-29,32-33,45H,6-11,13-14,17-18,20-21,24H2,1-5H3.

What are the key properties of [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate?

[4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate has a molecular weight of 686.89 g/mol, XLogP of 7.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-(2-tert-butyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 146457417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).