4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione

C19H20N2O6 — CID 131703185

About 4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione

4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione (PubChem CID 131703185) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione.

Molecular Properties

• Compound Name: 4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione
• PubChem CID: 131703185
• Molecular Formula: C19H20N2O6
• Molecular Weight: 372.38 g/mol
• Exact Mass: 372.13
• IUPAC Name: 4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione
• SMILES: O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(N2C(=O)COCC2=O)CC1
• InChI: InChI=1S/C19H20N2O6/c22-17(4-2-13-1-3-15-16(9-13)27-12-26-15)20-7-5-14(6-8-20)21-18(23)10-25-11-19(21)24/h1-4,9,14H,5-8,10-12H2/b4-2+
• InChIKey: MBAYYMKZYPTVDZ-DUXPYHPUSA-N
• XLogP: 0.80
• TPSA: 85.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.38
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione?

The IUPAC name of 4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione (CID 131703185) is 4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione.

What is the SMILES notation for 4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione?

The canonical SMILES for 4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione is O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(N2C(=O)COCC2=O)CC1.

What is the InChIKey of 4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione?

The InChIKey is MBAYYMKZYPTVDZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C19H20N2O6/c22-17(4-2-13-1-3-15-16(9-13)27-12-26-15)20-7-5-14(6-8-20)21-18(23)10-25-11-19(21)24/h1-4,9,14H,5-8,10-12H2/b4-2+.

What are the key properties of 4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione?

4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione has a molecular weight of 372.38 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]morpholine-3,5-dione is sourced from PubChem (CID 131703185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).