3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione

C13H16N2O4 — CID 82160067

IUPAC3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccc(N2C(=O)CCC(N)C2=O)c(OC)c1
InChIInChI=1S/C13H16N2O4/c1-18-8-3-5-10(11(7-8)19-2)15-12(16)6-4-9(14)13(15)17/h3,5,7,9H,4,6,14H2,1-2H3
InChIKeyPSPYLLQLDOZEDR-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.68
Rot. Bonds3

About 3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione

3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione (PubChem CID 82160067) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione
PubChem CID82160067
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccc(N2C(=O)CCC(N)C2=O)c(OC)c1
InChIInChI=1S/C13H16N2O4/c1-18-8-3-5-10(11(7-8)19-2)15-12(16)6-4-9(14)13(15)17/h3,5,7,9H,4,6,14H2,1-2H3
InChIKeyPSPYLLQLDOZEDR-UHFFFAOYSA-N
XLogP0.68
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.68
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

(3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione
CID 39221193
3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 82159648
(3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 51860142
2-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid
CID 43827010
(1S,2S,6S,7S)-4-(2,4-dimethoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98154970
6-amino-4-(2,4-dimethoxyphenyl)-6,6a-dihydrodithiolo[4,3-b]pyrrol-5-one
CID 171363620
3-(4-bromoanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 43844652
(3S)-3-(4-bromoanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 51860153
(3R)-1-(2,4-dimethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188163
2-[(3R)-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
CID 2242141
(3S)-1-(2,4-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 1167712
1-(2,4-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 2918451

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione?
The IUPAC name of 3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione (CID 82160067) is 3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione?
The canonical SMILES for 3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione is COc1ccc(N2C(=O)CCC(N)C2=O)c(OC)c1.
What is the InChIKey of 3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione?
The InChIKey is PSPYLLQLDOZEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-8-3-5-10(11(7-8)19-2)15-12(16)6-4-9(14)13(15)17/h3,5,7,9H,4,6,14H2,1-2H3.
What are the key properties of 3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione?
3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione has a molecular weight of 264.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione is sourced from PubChem (CID 82160067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).