5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide

C33H38N2O2 — CID 18794615

About 5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide

5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide (PubChem CID 18794615) has the molecular formula C33H38N2O2 and a molecular weight of 494.68 g/mol. Its IUPAC name is 5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide
• PubChem CID: 18794615
• Molecular Formula: C33H38N2O2
• Molecular Weight: 494.68 g/mol
• Exact Mass: 494.29
• IUPAC Name: 5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide
• SMILES: CC(CNC(=O)c1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2=O)c1ccccc1
• InChI: InChI=1S/C33H38N2O2/c1-24(25-8-4-2-5-9-25)23-34-33(37)30-14-15-31-29(22-30)13-12-28(32(31)36)18-21-35-19-16-27(17-20-35)26-10-6-3-7-11-26/h2-11,14-15,22,24,27-28H,12-13,16-21,23H2,1H3,(H,34,37)
• InChIKey: GBHNJCXQCNURQE-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.68
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide?

The IUPAC name of 5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide (CID 18794615) is 5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide.

What is the SMILES notation for 5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide?

The canonical SMILES for 5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide is CC(CNC(=O)c1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2=O)c1ccccc1.

What is the InChIKey of 5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide?

The InChIKey is GBHNJCXQCNURQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O2/c1-24(25-8-4-2-5-9-25)23-34-33(37)30-14-15-31-29(22-30)13-12-28(32(31)36)18-21-35-19-16-27(17-20-35)26-10-6-3-7-11-26/h2-11,14-15,22,24,27-28H,12-13,16-21,23H2,1H3,(H,34,37).

What are the key properties of 5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide?

5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide has a molecular weight of 494.68 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-N-(2-phenylpropyl)-7,8-dihydro-6H-naphthalene-2-carboxamide is sourced from PubChem (CID 18794615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).