1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione

C14H23N3O3 — CID 163986084

IUPAC1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCC2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C14H23N3O3/c18-13-10-12(16-4-2-1-3-5-16)14(19)17(13)11-15-6-8-20-9-7-15/h12H,1-11H2
InChIKeyTWLQTRWSBYKKTL-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.11
Rot. Bonds3

About 1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione

1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione (PubChem CID 163986084) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
PubChem CID163986084
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCC2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C14H23N3O3/c18-13-10-12(16-4-2-1-3-5-16)14(19)17(13)11-15-6-8-20-9-7-15/h12H,1-11H2
InChIKeyTWLQTRWSBYKKTL-UHFFFAOYSA-N
XLogP-0.11
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione (CID 163986084) is 1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione is O=C1CC(N2CCCCC2)C(=O)N1CN1CCOCC1.
What is the InChIKey of 1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is TWLQTRWSBYKKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-13-10-12(16-4-2-1-3-5-16)14(19)17(13)11-15-6-8-20-9-7-15/h12H,1-11H2.
What are the key properties of 1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 281.36 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ylmethyl)-3-piperidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 163986084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).