1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione

C13H22N2O3 — CID 114280953

IUPAC1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCOCC1(CN2C(=O)CC(C)C2=O)CCCNC1
InChIInChI=1S/C13H22N2O3/c1-10-6-11(16)15(12(10)17)8-13(9-18-2)4-3-5-14-7-13/h10,14H,3-9H2,1-2H3
InChIKeySDXAPJRDQUMGDU-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.40
Rot. Bonds4

About 1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione

1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 114280953) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID114280953
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCOCC1(CN2C(=O)CC(C)C2=O)CCCNC1
InChIInChI=1S/C13H22N2O3/c1-10-6-11(16)15(12(10)17)8-13(9-18-2)4-3-5-14-7-13/h10,14H,3-9H2,1-2H3
InChIKeySDXAPJRDQUMGDU-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-ethylpiperidin-3-yl)methyl]-4-methylpiperidine-2,6-dione
CID 114280946
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 115363188
1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione
CID 106253624
3-[(2-fluorophenyl)methyl]-3-(methoxymethyl)piperidine
CID 67983211
3-fluoro-3-(methoxymethyl)piperidine
CID 112562901
3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione
CID 63306073
N-[[3-(methoxymethyl)piperidin-3-yl]methyl]-5-methylpyridin-2-amine
CID 114280911
1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione
CID 66475155
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine
CID 157410689
1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711427

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione (CID 114280953) is 1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione is COCC1(CN2C(=O)CC(C)C2=O)CCCNC1.
What is the InChIKey of 1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is SDXAPJRDQUMGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10-6-11(16)15(12(10)17)8-13(9-18-2)4-3-5-14-7-13/h10,14H,3-9H2,1-2H3.
What are the key properties of 1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione?
1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 114280953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).