3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione

C18H19N3O3 — CID 166416358

IUPAC3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(cccc3C3=CCCNC3)C2=O)C(=O)N1
InChIInChI=1S/C18H19N3O3/c22-16-7-6-15(17(23)20-16)21-10-14-12(11-3-2-8-19-9-11)4-1-5-13(14)18(21)24/h1,3-5,15,19H,2,6-10H2,(H,20,22,23)
InChIKeyMFAWJOZVNNWQCV-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.82
Rot. Bonds2

About 3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166416358) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166416358
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(cccc3C3=CCCNC3)C2=O)C(=O)N1
InChIInChI=1S/C18H19N3O3/c22-16-7-6-15(17(23)20-16)21-10-14-12(11-3-2-8-19-9-11)4-1-5-13(14)18(21)24/h1,3-5,15,19H,2,6-10H2,(H,20,22,23)
InChIKeyMFAWJOZVNNWQCV-UHFFFAOYSA-N
XLogP0.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
(3R)-3-(3-oxo-7-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 175756568
3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146601936
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-[4-(hydroxymethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167940424
3-[3-oxo-7-(4-piperidin-4-ylpiperidin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171491722
3-[3-oxo-7-(piperazin-1-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 167723330
3-[7-[4-(dimethylamino)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416351
3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416348
3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166423087
3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166423081
3-[7-(3-methylthiophen-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416335

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166416358) is 3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(cccc3C3=CCCNC3)C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is MFAWJOZVNNWQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-16-7-6-15(17(23)20-16)21-10-14-12(11-3-2-8-19-9-11)4-1-5-13(14)18(21)24/h1,3-5,15,19H,2,6-10H2,(H,20,22,23).
What are the key properties of 3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 325.37 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166416358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).