1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione

C19H17NO4 — CID 45032013

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione
SMILESO=C1CC(c2ccccc2)CC(=O)N1c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17NO4/c21-18-10-14(13-4-2-1-3-5-13)11-19(22)20(18)15-6-7-16-17(12-15)24-9-8-23-16/h1-7,12,14H,8-11H2
InChIKeyYIJZFHFGGZDIKZ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.89
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione (PubChem CID 45032013) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione
PubChem CID45032013
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione
SMILESO=C1CC(c2ccccc2)CC(=O)N1c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17NO4/c21-18-10-14(13-4-2-1-3-5-13)11-19(22)20(18)15-6-7-16-17(12-15)24-9-8-23-16/h1-7,12,14H,8-11H2
InChIKeyYIJZFHFGGZDIKZ-UHFFFAOYSA-N
XLogP2.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione (CID 45032013) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione is O=C1CC(c2ccccc2)CC(=O)N1c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione?
The InChIKey is YIJZFHFGGZDIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-18-10-14(13-4-2-1-3-5-13)11-19(22)20(18)15-6-7-16-17(12-15)24-9-8-23-16/h1-7,12,14H,8-11H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione has a molecular weight of 323.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione is sourced from PubChem (CID 45032013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).