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

C26H33N3O3 — CID 15839670

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

1-benzyl-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]imidazolidin-2-one (PubChem CID 15839670) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-benzyl-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-benzyl-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]imidazolidin-2-one
• PubChem CID: 15839670
• Molecular Formula: C26H33N3O3
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.25
• IUPAC Name: 1-benzyl-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]imidazolidin-2-one
• SMILES: O=C1N(CCC2CCN(CC3COc4ccccc4O3)CC2)CCN1Cc1ccccc1
• InChI: InChI=1S/C26H33N3O3/c30-26-28(16-17-29(26)18-22-6-2-1-3-7-22)15-12-21-10-13-27(14-11-21)19-23-20-31-24-8-4-5-9-25(24)32-23/h1-9,21,23H,10-20H2
• InChIKey: JVIWTRGIRBVZLF-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 45.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-benzyl-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]imidazolidin-2-one (CID 15839670) is 1-benzyl-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]imidazolidin-2-one.

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

The canonical SMILES for 1-benzyl-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]imidazolidin-2-one is O=C1N(CCC2CCN(CC3COc4ccccc4O3)CC2)CCN1Cc1ccccc1.

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

The InChIKey is JVIWTRGIRBVZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c30-26-28(16-17-29(26)18-22-6-2-1-3-7-22)15-12-21-10-13-27(14-11-21)19-23-20-31-24-8-4-5-9-25(24)32-23/h1-9,21,23H,10-20H2.

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

1-benzyl-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]imidazolidin-2-one has a molecular weight of 435.57 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 15839670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).