(2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

C32H36N2O3 — CID 5133664

About (2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 5133664) has the molecular formula C32H36N2O3 and a molecular weight of 496.65 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

• Compound Name: (2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
• PubChem CID: 5133664
• Molecular Formula: C32H36N2O3
• Molecular Weight: 496.65 g/mol
• Exact Mass: 496.27
• IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
• SMILES: CC(C)(C)c1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC(=O)N2CCCCC2)cc1
• InChI: InChI=1S/C32H36N2O3/c1-32(2,3)24-16-14-22(15-17-24)20-23-10-9-12-26-29(25-11-5-6-13-27(25)33-30(23)26)31(36)37-21-28(35)34-18-7-4-8-19-34/h5-6,11,13-17,20H,4,7-10,12,18-19,21H2,1-3H3
• InChIKey: JSPRWDJHJOWLTE-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 59.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.65
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?

The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (CID 5133664) is (2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.

What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?

The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is CC(C)(C)c1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC(=O)N2CCCCC2)cc1.

What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?

The InChIKey is JSPRWDJHJOWLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O3/c1-32(2,3)24-16-14-22(15-17-24)20-23-10-9-12-26-29(25-11-5-6-13-27(25)33-30(23)26)31(36)37-21-28(35)34-18-7-4-8-19-34/h5-6,11,13-17,20H,4,7-10,12,18-19,21H2,1-3H3.

What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?

(2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 496.65 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-oxo-2-piperidin-1-ylethyl) 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 5133664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).