2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione

C15H18N2O2 — CID 21405570

IUPAC2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione
SMILESCCN1CCCC(N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C15H18N2O2/c1-2-16-9-5-6-11(10-16)17-14(18)12-7-3-4-8-13(12)15(17)19/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeySCDNPOHVJJYTHG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.77
Rot. Bonds2

About 2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione

2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione (PubChem CID 21405570) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione
PubChem CID21405570
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione
SMILESCCN1CCCC(N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C15H18N2O2/c1-2-16-9-5-6-11(10-16)17-14(18)12-7-3-4-8-13(12)15(17)19/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeySCDNPOHVJJYTHG-UHFFFAOYSA-N
XLogP1.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.77
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

15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10473583
2-cyclodecylisoindole-1,3-dione
CID 123786237
2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione
CID 113082746
3-[(3S)-1-ethylpiperidin-3-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620696
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 90979720
7-(1-ethylpiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599828
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
3-(1-ethylpiperidin-3-yl)-2-(2-methylphenyl)imidazolidin-4-one
CID 83244598
1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine
CID 61480058
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]isoindole-1,3-dione
CID 15045352
3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one
CID 54972827
2-[(3-aminopiperidin-1-yl)methyl]isoindole-1,3-dione
CID 55032217

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione (CID 21405570) is 2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione is CCN1CCCC(N2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is SCDNPOHVJJYTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-16-9-5-6-11(10-16)17-14(18)12-7-3-4-8-13(12)15(17)19/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione?
2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 258.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 21405570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).