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

C12H20N2O2 — CID 63306073

IUPAC3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC2NCCCC2C)C1=O
InChIInChI=1S/C12H20N2O2/c1-8-4-3-5-13-10(8)7-14-11(15)6-9(2)12(14)16/h8-10,13H,3-7H2,1-2H3
InChIKeyALOGCPWEMQZBGU-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.77
Rot. Bonds2

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

3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 63306073) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID63306073
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC2NCCCC2C)C1=O
InChIInChI=1S/C12H20N2O2/c1-8-4-3-5-13-10(8)7-14-11(15)6-9(2)12(14)16/h8-10,13H,3-7H2,1-2H3
InChIKeyALOGCPWEMQZBGU-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.77
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-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione (CID 63306073) is 3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione is CC1CC(=O)N(CC2NCCCC2C)C1=O.
What is the InChIKey of 3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is ALOGCPWEMQZBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-4-3-5-13-10(8)7-14-11(15)6-9(2)12(14)16/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione?
3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 63306073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).