2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide

C37H38N2O2 — CID 58495879

About 2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide

2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide (PubChem CID 58495879) has the molecular formula C37H38N2O2 and a molecular weight of 542.72 g/mol. Its IUPAC name is 2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide.

Molecular Properties

• Compound Name: 2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide
• PubChem CID: 58495879
• Molecular Formula: C37H38N2O2
• Molecular Weight: 542.72 g/mol
• Exact Mass: 542.29
• IUPAC Name: 2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide
• SMILES: CCCNC(=O)C(c1ccccc1)C1CCN(c2ccc(CC(=O)c3cccc4c3Cc3ccccc3-4)cc2)CC1
• InChI: InChI=1S/C37H38N2O2/c1-2-21-38-37(41)36(27-9-4-3-5-10-27)28-19-22-39(23-20-28)30-17-15-26(16-18-30)24-35(40)33-14-8-13-32-31-12-7-6-11-29(31)25-34(32)33/h3-18,28,36H,2,19-25H2,1H3,(H,38,41)
• InChIKey: VSSIPBISMGZPCV-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.72
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide?

The IUPAC name of 2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide (CID 58495879) is 2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide.

What is the SMILES notation for 2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide?

The canonical SMILES for 2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide is CCCNC(=O)C(c1ccccc1)C1CCN(c2ccc(CC(=O)c3cccc4c3Cc3ccccc3-4)cc2)CC1.

What is the InChIKey of 2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide?

The InChIKey is VSSIPBISMGZPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2O2/c1-2-21-38-37(41)36(27-9-4-3-5-10-27)28-19-22-39(23-20-28)30-17-15-26(16-18-30)24-35(40)33-14-8-13-32-31-12-7-6-11-29(31)25-34(32)33/h3-18,28,36H,2,19-25H2,1H3,(H,38,41).

What are the key properties of 2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide?

2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide has a molecular weight of 542.72 g/mol, XLogP of 7.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[2-(9H-fluoren-1-yl)-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenyl-N-propylacetamide is sourced from PubChem (CID 58495879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).