1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one

C30H30N3O2P — CID 130445069

About 1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one

1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one (PubChem CID 130445069) has the molecular formula C30H30N3O2P and a molecular weight of 495.56 g/mol. Its IUPAC name is 1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one.

Molecular Properties

• Compound Name: 1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one
• PubChem CID: 130445069
• Molecular Formula: C30H30N3O2P
• Molecular Weight: 495.56 g/mol
• Exact Mass: 495.21
• IUPAC Name: 1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one
• SMILES: O=C1CCN(C(c2cccc3ccccc23)P2(=O)N(c3ccccc3)CCN2c2ccccc2)CC1
• InChI: InChI=1S/C30H30N3O2P/c34-27-18-20-31(21-19-27)30(29-17-9-11-24-10-7-8-16-28(24)29)36(35)32(25-12-3-1-4-13-25)22-23-33(36)26-14-5-2-6-15-26/h1-17,30H,18-23H2
• InChIKey: MJZBSUYVMWMIGO-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 43.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.56
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one?

The IUPAC name of 1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one (CID 130445069) is 1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one.

What is the SMILES notation for 1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one?

The canonical SMILES for 1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one is O=C1CCN(C(c2cccc3ccccc23)P2(=O)N(c3ccccc3)CCN2c2ccccc2)CC1.

What is the InChIKey of 1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one?

The InChIKey is MJZBSUYVMWMIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N3O2P/c34-27-18-20-31(21-19-27)30(29-17-9-11-24-10-7-8-16-28(24)29)36(35)32(25-12-3-1-4-13-25)22-23-33(36)26-14-5-2-6-15-26/h1-17,30H,18-23H2.

What are the key properties of 1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one?

1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one has a molecular weight of 495.56 g/mol, XLogP of 6.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[naphthalen-1-yl-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)methyl]piperidin-4-one is sourced from PubChem (CID 130445069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).