1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C24H25NO6 — CID 46960370

About 1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46960370) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: 1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
• PubChem CID: 46960370
• Molecular Formula: C24H25NO6
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.17
• IUPAC Name: 1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
• SMILES: Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)COc3ccc4c(c3)OCCO4)CC1)O2
• InChI: InChI=1S/C24H25NO6/c1-16-2-4-20-18(12-16)19(26)14-24(31-20)6-8-25(9-7-24)23(27)15-30-17-3-5-21-22(13-17)29-11-10-28-21/h2-5,12-13H,6-11,14-15H2,1H3
• InChIKey: CERMBEFZAPQCTA-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 74.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?

The IUPAC name of 1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 46960370) is 1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

What is the SMILES notation for 1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?

The canonical SMILES for 1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)COc3ccc4c(c3)OCCO4)CC1)O2.

What is the InChIKey of 1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?

The InChIKey is CERMBEFZAPQCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-16-2-4-20-18(12-16)19(26)14-24(31-20)6-8-25(9-7-24)23(27)15-30-17-3-5-21-22(13-17)29-11-10-28-21/h2-5,12-13H,6-11,14-15H2,1H3.

What are the key properties of 1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?

1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 423.47 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46960370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).