2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione

C19H20N2O2 — CID 3389100

IUPAC2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1CCN1CCCCC1
InChIInChI=1S/C19H20N2O2/c22-18-15-8-4-6-14-7-5-9-16(17(14)15)19(23)21(18)13-12-20-10-2-1-3-11-20/h4-9H,1-3,10-13H2
InChIKeyXJPLHHOBSNKONO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.92
Rot. Bonds3

About 2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione

2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 3389100) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
PubChem CID3389100
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1CCN1CCCCC1
InChIInChI=1S/C19H20N2O2/c22-18-15-8-4-6-14-7-5-9-16(17(14)15)19(23)21(18)13-12-20-10-2-1-3-11-20/h4-9H,1-3,10-13H2
InChIKeyXJPLHHOBSNKONO-UHFFFAOYSA-N
XLogP2.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 54688737
2-[2-(4-hydroxypiperidin-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione
CID 21393697
1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
CID 116619002
1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one
CID 722274
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-piperidin-1-ylpropyl)butanamide
CID 9049016
2-[2-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 2884139
2-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 5069803
2-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 2870515
2-(3-piperazin-1-ylpropyl)benzo[de]isoquinoline-1,3-dione
CID 3435846
2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 2930106
2-[2-[4-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 30726265
2-[2-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrobromide
CID 2880442

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione (CID 3389100) is 2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCCCC1.
What is the InChIKey of 2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is XJPLHHOBSNKONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18-15-8-4-6-14-7-5-9-16(17(14)15)19(23)21(18)13-12-20-10-2-1-3-11-20/h4-9H,1-3,10-13H2.
What are the key properties of 2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione?
2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 308.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 3389100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).