1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one

C29H31N3O3 — CID 138621574

About 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one

1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one (PubChem CID 138621574) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one
• PubChem CID: 138621574
• Molecular Formula: C29H31N3O3
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.24
• IUPAC Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one
• SMILES: O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCCN(CC2COc3ccccc3O2)C1
• InChI: InChI=1S/C29H31N3O3/c33-28-30-29(22-10-3-1-4-11-22,23-12-5-2-6-13-23)21-32(28)24-14-9-17-31(18-24)19-25-20-34-26-15-7-8-16-27(26)35-25/h1-8,10-13,15-16,24-25H,9,14,17-21H2,(H,30,33)
• InChIKey: IIWATQYIKKMXPE-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one?

The IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one (CID 138621574) is 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one.

What is the SMILES notation for 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one?

The canonical SMILES for 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one is O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCCN(CC2COc3ccccc3O2)C1.

What is the InChIKey of 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one?

The InChIKey is IIWATQYIKKMXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c33-28-30-29(22-10-3-1-4-11-22,23-12-5-2-6-13-23)21-32(28)24-14-9-17-31(18-24)19-25-20-34-26-15-7-8-16-27(26)35-25/h1-8,10-13,15-16,24-25H,9,14,17-21H2,(H,30,33).

What are the key properties of 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one?

1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one has a molecular weight of 469.59 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one is sourced from PubChem (CID 138621574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).