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

Thalidomide
CID 5426
N-Methylphthalimide
CID 11074
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
N-Ethylphthalimide
CID 21120
(R)-Thalidomide
CID 75792

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).