2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione

C16H20N2O2 — CID 8557612

IUPAC2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
SMILESCC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H20N2O2/c1-12-6-8-17(9-7-12)10-11-18-15(19)13-4-2-3-5-14(13)16(18)20/h2-5,12H,6-11H2,1H3
InChIKeyPMFRKKJAWNNPKL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.01
Rot. Bonds3

About 2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione

2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione (PubChem CID 8557612) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
PubChem CID8557612
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
SMILESCC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H20N2O2/c1-12-6-8-17(9-7-12)10-11-18-15(19)13-4-2-3-5-14(13)16(18)20/h2-5,12H,6-11H2,1H3
InChIKeyPMFRKKJAWNNPKL-UHFFFAOYSA-N
XLogP2.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.01
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-(4-aminopiperidin-1-yl)ethyl]isoindole-1,3-dione;dihydrochloride
CID 127021054
2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride
CID 119917686
2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 62918343
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 78963607
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide
CID 39903901
2-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 90542997
2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 175208589
2-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]isoindole-1,3-dione
CID 11930918
N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 48736556
2-[2-(4-hydroxypiperidin-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione
CID 21393697
2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 90494027
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione (CID 8557612) is 2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione is CC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione?
The InChIKey is PMFRKKJAWNNPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-6-8-17(9-7-12)10-11-18-15(19)13-4-2-3-5-14(13)16(18)20/h2-5,12H,6-11H2,1H3.
What are the key properties of 2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione?
2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione has a molecular weight of 272.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 8557612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).