3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione

C17H28N4O3 — CID 152695543

IUPAC3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(N2CCCCC2)(N2CCOCC2)C1N1CCCC1
InChIInChI=1S/C17H28N4O3/c22-15-14(19-6-4-5-7-19)17(16(23)18-15,20-8-2-1-3-9-20)21-10-12-24-13-11-21/h14H,1-13H2,(H,18,22,23)
InChIKeyZQLPMZWYAQRIDN-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.38
Rot. Bonds3

About 3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione

3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione (PubChem CID 152695543) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione
PubChem CID152695543
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(N2CCCCC2)(N2CCOCC2)C1N1CCCC1
InChIInChI=1S/C17H28N4O3/c22-15-14(19-6-4-5-7-19)17(16(23)18-15,20-8-2-1-3-9-20)21-10-12-24-13-11-21/h14H,1-13H2,(H,18,22,23)
InChIKeyZQLPMZWYAQRIDN-UHFFFAOYSA-N
XLogP-0.38
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione (CID 152695543) is 3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione is O=C1NC(=O)C(N2CCCCC2)(N2CCOCC2)C1N1CCCC1.
What is the InChIKey of 3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is ZQLPMZWYAQRIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c22-15-14(19-6-4-5-7-19)17(16(23)18-15,20-8-2-1-3-9-20)21-10-12-24-13-11-21/h14H,1-13H2,(H,18,22,23).
What are the key properties of 3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione?
3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 336.44 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-3-piperidin-1-yl-4-pyrrolidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 152695543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).