3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione

C13H20N2O2 — CID 60976530

IUPAC3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
SMILESCCCN1CCC(N2C(=O)C=C(C)C2=O)CC1
InChIInChI=1S/C13H20N2O2/c1-3-6-14-7-4-11(5-8-14)15-12(16)9-10(2)13(15)17/h9,11H,3-8H2,1-2H3
InChIKeyUREQMQDRNPJNJK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.18
Rot. Bonds3

About 3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione

3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione (PubChem CID 60976530) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
PubChem CID60976530
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
SMILESCCCN1CCC(N2C(=O)C=C(C)C2=O)CC1
InChIInChI=1S/C13H20N2O2/c1-3-6-14-7-4-11(5-8-14)15-12(16)9-10(2)13(15)17/h9,11H,3-8H2,1-2H3
InChIKeyUREQMQDRNPJNJK-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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Related Compounds

1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976367
1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione
CID 43346034
3-methyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione
CID 79110657
1-(1-propylazetidin-3-yl)pyrrole-2,5-dione
CID 131043117
4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one
CID 168500448
1-(1-propylpiperidin-4-yl)imidazolidin-2-one
CID 18340097
2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253349
2-propyl-3-(1-propylpiperidin-4-yl)imidazolidin-4-one
CID 83254078
1-(1-propylpyrrolidin-3-yl)imidazolidin-2-one
CID 131114947
N-(2,5-dimethylpyrrol-1-yl)-1-propylpiperidin-4-amine
CID 79090139
6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
CID 113404539
3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrrole-2,5-dione
CID 106325819

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione (CID 60976530) is 3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione is CCCN1CCC(N2C(=O)C=C(C)C2=O)CC1.
What is the InChIKey of 3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione?
The InChIKey is UREQMQDRNPJNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-6-14-7-4-11(5-8-14)15-12(16)9-10(2)13(15)17/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione?
3-methyl-1-(1-propylpiperidin-4-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-propylpiperidin-4-yl)pyrrole-2,5-dione is sourced from PubChem (CID 60976530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).