[1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate

C27H34N2O6 — CID 42975908

About [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate

[1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate (PubChem CID 42975908) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate.

Molecular Properties

• Compound Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
• PubChem CID: 42975908
• Molecular Formula: C27H34N2O6
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.24
• IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
• SMILES: CCOc1cc(C(=O)OC(C)C(=O)NC(C)c2ccccc2)ccc1OCC(=O)N1CCCCC1
• InChI: InChI=1S/C27H34N2O6/c1-4-33-24-17-22(13-14-23(24)34-18-25(30)29-15-9-6-10-16-29)27(32)35-20(3)26(31)28-19(2)21-11-7-5-8-12-21/h5,7-8,11-14,17,19-20H,4,6,9-10,15-16,18H2,1-3H3,(H,28,31)
• InChIKey: MRNGOUPYKKIDBH-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?

The IUPAC name of [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate (CID 42975908) is [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate.

What is the SMILES notation for [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?

The canonical SMILES for [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate is CCOc1cc(C(=O)OC(C)C(=O)NC(C)c2ccccc2)ccc1OCC(=O)N1CCCCC1.

What is the InChIKey of [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?

The InChIKey is MRNGOUPYKKIDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-4-33-24-17-22(13-14-23(24)34-18-25(30)29-15-9-6-10-16-29)27(32)35-20(3)26(31)28-19(2)21-11-7-5-8-12-21/h5,7-8,11-14,17,19-20H,4,6,9-10,15-16,18H2,1-3H3,(H,28,31).

What are the key properties of [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?

[1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate has a molecular weight of 482.58 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate is sourced from PubChem (CID 42975908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).