2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione

C24H26N2O3 — CID 146285964

IUPAC2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione
SMILESCC(c1ccc2c(c1)OCC2)N1CCCC(CN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C24H26N2O3/c1-16(19-9-8-18-10-12-29-22(18)13-19)25-11-4-5-17(14-25)15-26-23(27)20-6-2-3-7-21(20)24(26)28/h2-3,6-9,13,16-17H,4-5,10-12,14-15H2,1H3
InChIKeyLWOHTDULCVJOMA-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.69
Rot. Bonds4

About 2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione

2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione (PubChem CID 146285964) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione
PubChem CID146285964
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione
SMILESCC(c1ccc2c(c1)OCC2)N1CCCC(CN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C24H26N2O3/c1-16(19-9-8-18-10-12-29-22(18)13-19)25-11-4-5-17(14-25)15-26-23(27)20-6-2-3-7-21(20)24(26)28/h2-3,6-9,13,16-17H,4-5,10-12,14-15H2,1H3
InChIKeyLWOHTDULCVJOMA-UHFFFAOYSA-N
XLogP3.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.69
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 2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione (CID 146285964) is 2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione is CC(c1ccc2c(c1)OCC2)N1CCCC(CN2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione?
The InChIKey is LWOHTDULCVJOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16(19-9-8-18-10-12-29-22(18)13-19)25-11-4-5-17(14-25)15-26-23(27)20-6-2-3-7-21(20)24(26)28/h2-3,6-9,13,16-17H,4-5,10-12,14-15H2,1H3.
What are the key properties of 2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione?
2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione has a molecular weight of 390.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-3-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 146285964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).