7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C28H32N2O6 — CID 108762678

About 7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one

7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108762678) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is 7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: 7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
• PubChem CID: 108762678
• Molecular Formula: C28H32N2O6
• Molecular Weight: 492.57 g/mol
• Exact Mass: 492.23
• IUPAC Name: 7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
• SMILES: COc1ccc2c(c1OC)OC1(CCN(C(=O)C3CC(=O)N(C(C)c4ccccc4)C3)CC1)CC2=O
• InChI: InChI=1S/C28H32N2O6/c1-18(19-7-5-4-6-8-19)30-17-20(15-24(30)32)27(33)29-13-11-28(12-14-29)16-22(31)21-9-10-23(34-2)26(35-3)25(21)36-28/h4-10,18,20H,11-17H2,1-3H3
• InChIKey: UGTMNIYZHLDURY-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 85.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.57
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one?

The IUPAC name of 7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108762678) is 7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

What is the SMILES notation for 7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one?

The canonical SMILES for 7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc2c(c1OC)OC1(CCN(C(=O)C3CC(=O)N(C(C)c4ccccc4)C3)CC1)CC2=O.

What is the InChIKey of 7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one?

The InChIKey is UGTMNIYZHLDURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-18(19-7-5-4-6-8-19)30-17-20(15-24(30)32)27(33)29-13-11-28(12-14-29)16-22(31)21-9-10-23(34-2)26(35-3)25(21)36-28/h4-10,18,20H,11-17H2,1-3H3.

What are the key properties of 7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one?

7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 492.57 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108762678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).