3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

C16H15N3O4 — CID 146628392

IUPAC3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCN(C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O)c1ccccc1
InChIInChI=1S/C16H15N3O4/c1-18(10-5-3-2-4-6-10)12-9-14(21)19(16(12)23)11-7-8-13(20)17-15(11)22/h2-6,9,11H,7-8H2,1H3,(H,17,20,22)
InChIKeyWHZHWGZOZVDTLJ-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.18
Rot. Bonds3

About 3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (PubChem CID 146628392) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
PubChem CID146628392
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCN(C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O)c1ccccc1
InChIInChI=1S/C16H15N3O4/c1-18(10-5-3-2-4-6-10)12-9-14(21)19(16(12)23)11-7-8-13(20)17-15(11)22/h2-6,9,11H,7-8H2,1H3,(H,17,20,22)
InChIKeyWHZHWGZOZVDTLJ-UHFFFAOYSA-N
XLogP0.18
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154935
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154861
3-[3-[methyl-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154900
5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159256748
3-[3-[[3-(3-cyclohexylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154851
3-[3-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154829
3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154722
2-[2-(2-aminoethoxy)ethoxy]ethanamine;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 145382151

Frequently Asked Questions

What is the IUPAC name of 3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (CID 146628392) is 3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is CN(C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O)c1ccccc1.
What is the InChIKey of 3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is WHZHWGZOZVDTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-18(10-5-3-2-4-6-10)12-9-14(21)19(16(12)23)11-7-8-13(20)17-15(11)22/h2-6,9,11H,7-8H2,1H3,(H,17,20,22).
What are the key properties of 3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 313.31 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 146628392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).