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

C13H22N2O2 — CID 103500242

IUPAC3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCC1CCCNC1CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C13H22N2O2/c1-8-5-4-6-14-11(8)7-15-12(16)9(2)10(3)13(15)17/h8-11,14H,4-7H2,1-3H3
InChIKeyZWEFCMHBVXFQQY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.02
Rot. Bonds2

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

3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 103500242) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID103500242
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCC1CCCNC1CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C13H22N2O2/c1-8-5-4-6-14-11(8)7-15-12(16)9(2)10(3)13(15)17/h8-11,14H,4-7H2,1-3H3
InChIKeyZWEFCMHBVXFQQY-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 3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione (CID 103500242) is 3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione is CC1CCCNC1CN1C(=O)C(C)C(C)C1=O.
What is the InChIKey of 3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is ZWEFCMHBVXFQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-5-4-6-14-11(8)7-15-12(16)9(2)10(3)13(15)17/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione?
3,4-dimethyl-1-[(3-methylpiperidin-2-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 3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 103500242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).