3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione

C13H20N2O2 — CID 60977446

IUPAC3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(C)CN2CCCCC2)C1=O
InChIInChI=1S/C13H20N2O2/c1-10-8-12(16)15(13(10)17)11(2)9-14-6-4-3-5-7-14/h8,11H,3-7,9H2,1-2H3
InChIKeyWDQROBGKNGNOOS-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.18
Rot. Bonds3

About 3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione

3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione (PubChem CID 60977446) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione
PubChem CID60977446
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C(C)CN2CCCCC2)C1=O
InChIInChI=1S/C13H20N2O2/c1-10-8-12(16)15(13(10)17)11(2)9-14-6-4-3-5-7-14/h8,11H,3-7,9H2,1-2H3
InChIKeyWDQROBGKNGNOOS-UHFFFAOYSA-N
XLogP1.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
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-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione (CID 60977446) is 3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione is CC1=CC(=O)N(C(C)CN2CCCCC2)C1=O.
What is the InChIKey of 3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione?
The InChIKey is WDQROBGKNGNOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-8-12(16)15(13(10)17)11(2)9-14-6-4-3-5-7-14/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione?
3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione has a molecular weight of 236.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-piperidin-1-ylpropan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 60977446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).