3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione

C13H22N2O2 — CID 114956274

IUPAC3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione
SMILESCC1CCNCC1CN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C13H22N2O2/c1-9-4-5-14-7-10(9)8-15-11(16)6-13(2,3)12(15)17/h9-10,14H,4-8H2,1-3H3
InChIKeyHYCDLIXWRZDMOV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.02
Rot. Bonds2

About 3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione

3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 114956274) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione
PubChem CID114956274
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione
SMILESCC1CCNCC1CN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C13H22N2O2/c1-9-4-5-14-7-10(9)8-15-11(16)6-13(2,3)12(15)17/h9-10,14H,4-8H2,1-3H3
InChIKeyHYCDLIXWRZDMOV-UHFFFAOYSA-N
XLogP1.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione (CID 114956274) is 3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione is CC1CCNCC1CN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is HYCDLIXWRZDMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-4-5-14-7-10(9)8-15-11(16)6-13(2,3)12(15)17/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione?
3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 114956274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).