2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione

C19H24N2O3 — CID 113082500

IUPAC2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione
SMILESCCC(CC)C(=O)N1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C19H24N2O3/c1-3-13(4-2)17(22)20-11-9-14(10-12-20)21-18(23)15-7-5-6-8-16(15)19(21)24/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyJAYSFHVIKLFTLE-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.71
Rot. Bonds4

About 2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione

2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione (PubChem CID 113082500) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione
PubChem CID113082500
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione
SMILESCCC(CC)C(=O)N1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C19H24N2O3/c1-3-13(4-2)17(22)20-11-9-14(10-12-20)21-18(23)15-7-5-6-8-16(15)19(21)24/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyJAYSFHVIKLFTLE-UHFFFAOYSA-N
XLogP2.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione (CID 113082500) is 2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione is CCC(CC)C(=O)N1CCC(N2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione?
The InChIKey is JAYSFHVIKLFTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-13(4-2)17(22)20-11-9-14(10-12-20)21-18(23)15-7-5-6-8-16(15)19(21)24/h5-8,13-14H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione?
2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione has a molecular weight of 328.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 113082500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).