3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione

C14H15N3O3 — CID 137368671

IUPAC3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione
SMILESCN1Cc2cc(NC3CCC(=O)NC3=O)ccc2C1=O
InChIInChI=1S/C14H15N3O3/c1-17-7-8-6-9(2-3-10(8)14(17)20)15-11-4-5-12(18)16-13(11)19/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,18,19)
InChIKeyCFJWRLYLBMQGBP-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.49
Rot. Bonds2

About 3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione

3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione (PubChem CID 137368671) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione
PubChem CID137368671
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione
SMILESCN1Cc2cc(NC3CCC(=O)NC3=O)ccc2C1=O
InChIInChI=1S/C14H15N3O3/c1-17-7-8-6-9(2-3-10(8)14(17)20)15-11-4-5-12(18)16-13(11)19/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,18,19)
InChIKeyCFJWRLYLBMQGBP-UHFFFAOYSA-N
XLogP0.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]piperidine-2,6-dione
CID 146573480
3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166468153
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
3-[3-oxo-6-[[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 150749033
3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
CID 170749493
3-(spiro[2,3-dihydroindene-1,4'-piperidine]-5-ylamino)piperidine-2,6-dione;hydrochloride
CID 175526668
5-(tert-butylamino)-2-methyl-3H-isoindol-1-one
CID 155362630
3-[6-[[(1R,2R)-2-(ethylamino)cyclohexyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 150009836
3-(3-hydroxyanilino)piperidine-2,6-dione
CID 170904961
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
3-[6-[(5-iodo-1-methyl-3,4-dihydro-2H-quinazolin-4-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156528521

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione (CID 137368671) is 3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione is CN1Cc2cc(NC3CCC(=O)NC3=O)ccc2C1=O.
What is the InChIKey of 3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione?
The InChIKey is CFJWRLYLBMQGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17-7-8-6-9(2-3-10(8)14(17)20)15-11-4-5-12(18)16-13(11)19/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,18,19).
What are the key properties of 3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione?
3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione has a molecular weight of 273.29 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 137368671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).