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

C16H18N2O3 — CID 2891087

IUPAC2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCC1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C16H18N2O3/c1-11-5-4-8-17(9-11)14(19)10-18-15(20)12-6-2-3-7-13(12)16(18)21/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyJUXSIWSJJSZUKD-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.54
Rot. Bonds2

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

2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 2891087) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID2891087
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCC1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C16H18N2O3/c1-11-5-4-8-17(9-11)14(19)10-18-15(20)12-6-2-3-7-13(12)16(18)21/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyJUXSIWSJJSZUKD-UHFFFAOYSA-N
XLogP1.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.54
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
2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120
(R)-Thalidomide
CID 75792
N,N,N',N'-Tetraethylphthalamide
CID 66526

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione (CID 2891087) is 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione is CC1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is JUXSIWSJJSZUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-5-4-8-17(9-11)14(19)10-18-15(20)12-6-2-3-7-13(12)16(18)21/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 286.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 2891087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).