2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione

C16H20N2O2 — CID 19133035

IUPAC2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione
SMILESCC1CCCC(C)N1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O2/c1-11-6-5-7-12(2)17(11)10-18-15(19)13-8-3-4-9-14(13)16(18)20/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeyXNENENOEZUTEMF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.50
Rot. Bonds2

About 2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione

2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione (PubChem CID 19133035) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione
PubChem CID19133035
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione
SMILESCC1CCCC(C)N1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O2/c1-11-6-5-7-12(2)17(11)10-18-15(19)13-8-3-4-9-14(13)16(18)20/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeyXNENENOEZUTEMF-UHFFFAOYSA-N
XLogP2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.50
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-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 102959641
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 7800277
2-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 79420634
2-[(3-aminopiperidin-1-yl)methyl]isoindole-1,3-dione
CID 55032217
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 66261613
2-[[(3S)-3-methylpiperazin-1-yl]methyl]isoindole-1,3-dione
CID 104976649
2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 79994387
2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
CID 8557612
2-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 18074489
2-ethylisoindole-1,3-dione;2-methyloxirane
CID 160821291
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 63255268
2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 79030827

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione (CID 19133035) is 2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione is CC1CCCC(C)N1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione?
The InChIKey is XNENENOEZUTEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-6-5-7-12(2)17(11)10-18-15(19)13-8-3-4-9-14(13)16(18)20/h3-4,8-9,11-12H,5-7,10H2,1-2H3.
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione?
2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione has a molecular weight of 272.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 19133035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).