1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C17H21N3O4 — CID 71799590

IUPAC1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1cccc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1
InChIInChI=1S/C17H21N3O4/c1-12-3-2-4-14(18-12)24-13-7-9-19(10-8-13)17(23)11-20-15(21)5-6-16(20)22/h2-4,13H,5-11H2,1H3
InChIKeyWRISQOSKQKKSPQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.91
Rot. Bonds4

About 1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 71799590) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID71799590
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1cccc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1
InChIInChI=1S/C17H21N3O4/c1-12-3-2-4-14(18-12)24-13-7-9-19(10-8-13)17(23)11-20-15(21)5-6-16(20)22/h2-4,13H,5-11H2,1H3
InChIKeyWRISQOSKQKKSPQ-UHFFFAOYSA-N
XLogP0.91
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.91
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-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 71799590) is 1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is Cc1cccc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1.
What is the InChIKey of 1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is WRISQOSKQKKSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12-3-2-4-14(18-12)24-13-7-9-19(10-8-13)17(23)11-20-15(21)5-6-16(20)22/h2-4,13H,5-11H2,1H3.
What are the key properties of 1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 331.37 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 71799590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).