2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione

C15H18N2O3 — CID 68991149

IUPAC2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione
SMILESCOC1CNCC(CN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C15H18N2O3/c1-20-11-6-10(7-16-8-11)9-17-14(18)12-4-2-3-5-13(12)15(17)19/h2-5,10-11,16H,6-9H2,1H3
InChIKeyGLMMYLNPMIDMPS-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.91
Rot. Bonds3

About 2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione

2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione (PubChem CID 68991149) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione
PubChem CID68991149
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione
SMILESCOC1CNCC(CN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C15H18N2O3/c1-20-11-6-10(7-16-8-11)9-17-14(18)12-4-2-3-5-13(12)15(17)19/h2-5,10-11,16H,6-9H2,1H3
InChIKeyGLMMYLNPMIDMPS-UHFFFAOYSA-N
XLogP0.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-methyl (1S,2S)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate
CID 1239910
2-[(4S)-4-methoxypyrrolidin-3-yl]isoindole-1,3-dione
CID 61350385
2-(1,3-dithiolan-2-ylmethyl)isoindole-1,3-dione
CID 135060706
azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione
CID 138706686
2-[[4-(hexoxymethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 139959225
2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione
CID 22958643
2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione
CID 6932395
2-[4-(4-methoxypiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110725297
tert-butyl N-[4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexyl]carbamate
CID 23298141
2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione
CID 108754184
4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride
CID 146279114
2-[8-(5,6-dimethoxy-4,7-dioxo-2,3-dihydro-1H-inden-2-yl)octyl]isoindole-1,3-dione
CID 15552356

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione (CID 68991149) is 2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione is COC1CNCC(CN2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione?
The InChIKey is GLMMYLNPMIDMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-11-6-10(7-16-8-11)9-17-14(18)12-4-2-3-5-13(12)15(17)19/h2-5,10-11,16H,6-9H2,1H3.
What are the key properties of 2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione?
2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione has a molecular weight of 274.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 68991149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).