2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione

C15H16N2O2 — CID 18695517

IUPAC2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC=C1CCNCC1
InChIInChI=1S/C15H16N2O2/c18-14-12-3-1-2-4-13(12)15(19)17(14)10-7-11-5-8-16-9-6-11/h1-4,7,16H,5-6,8-10H2
InChIKeyPWBOAIMYOHQQOT-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.59
Rot. Bonds2

About 2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione

2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione (PubChem CID 18695517) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione
PubChem CID18695517
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC=C1CCNCC1
InChIInChI=1S/C15H16N2O2/c18-14-12-3-1-2-4-13(12)15(19)17(14)10-7-11-5-8-16-9-6-11/h1-4,7,16H,5-6,8-10H2
InChIKeyPWBOAIMYOHQQOT-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(1,3-dioxoisoindol-2-yl)ethylidene]piperidin-1-yl]-methylborinic acid
CID 58804139
2-[2-(1-butylpiperidin-4-ylidene)ethyl]isoindole-1,3-dione
CID 18695520
CID 89172829
CID 89172829
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099
2-[(E)-4-aminobut-2-enyl]isoindole-1,3-dione
CID 71285690
ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione
CID 142125300
2-[4-(methylamino)but-2-enyl]isoindole-1,3-dione
CID 123904832
2-(3-cyclohexylideneprop-2-enyl)isoindole-1,3-dione
CID 172639657
2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione
CID 63870873
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione
CID 23047146
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108874901
2-[(2E,4Z)-5-sulfanylpenta-2,4-dienyl]isoindole-1,3-dione
CID 143478866

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione (CID 18695517) is 2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC=C1CCNCC1.
What is the InChIKey of 2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione?
The InChIKey is PWBOAIMYOHQQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14-12-3-1-2-4-13(12)15(19)17(14)10-7-11-5-8-16-9-6-11/h1-4,7,16H,5-6,8-10H2.
What are the key properties of 2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione?
2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione has a molecular weight of 256.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione is sourced from PubChem (CID 18695517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).