3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione

C16H18N2O3 — CID 163614917

IUPAC3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C16H18N2O3/c1-2-3-10-4-5-11-9-18(16(21)12(11)8-10)13-6-7-14(19)17-15(13)20/h4-5,8,13H,2-3,6-7,9H2,1H3,(H,17,19,20)
InChIKeyHJEGIHCUAPWHOW-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.40
Rot. Bonds3

About 3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione

3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 163614917) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID163614917
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C16H18N2O3/c1-2-3-10-4-5-11-9-18(16(21)12(11)8-10)13-6-7-14(19)17-15(13)20/h4-5,8,13H,2-3,6-7,9H2,1H3,(H,17,19,20)
InChIKeyHJEGIHCUAPWHOW-UHFFFAOYSA-N
XLogP1.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
3-[5-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167729954
3-[5-[(3-aminoazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734218
3-[5-[[(4-ethylpiperidin-4-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741296
3-[5-[[[(2S)-2-aminobutyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730010
3-[5-[(2-aminobutylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718983
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733099
6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 167146482
3-[5-[[1-(methylamino)propan-2-ylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733544
3-[5-[[3-aminopropyl(ethyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737014

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione (CID 163614917) is 3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione is CCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is HJEGIHCUAPWHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-3-10-4-5-11-9-18(16(21)12(11)8-10)13-6-7-14(19)17-15(13)20/h4-5,8,13H,2-3,6-7,9H2,1H3,(H,17,19,20).
What are the key properties of 3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 286.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 163614917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).