3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C14H17N3O6 — CID 121156485

IUPAC3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C14H17N3O6/c18-10-1-2-11(19)16(10)7-12(20)15-5-3-9(4-6-15)17-13(21)8-23-14(17)22/h9H,1-8H2
InChIKeyMCOBSIINPXZIKW-UHFFFAOYSA-N
MW323.31 g/mol
LogP-0.89
Rot. Bonds3

About 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 121156485) has the molecular formula C14H17N3O6 and a molecular weight of 323.31 g/mol. Its IUPAC name is 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID121156485
Molecular FormulaC14H17N3O6
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C14H17N3O6/c18-10-1-2-11(19)16(10)7-12(20)15-5-3-9(4-6-15)17-13(21)8-23-14(17)22/h9H,1-8H2
InChIKeyMCOBSIINPXZIKW-UHFFFAOYSA-N
XLogP-0.89
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
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-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 121156485) is 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is O=C(CN1C(=O)CCC1=O)N1CCC(N2C(=O)COC2=O)CC1.
What is the InChIKey of 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is MCOBSIINPXZIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O6/c18-10-1-2-11(19)16(10)7-12(20)15-5-3-9(4-6-15)17-13(21)8-23-14(17)22/h9H,1-8H2.
What are the key properties of 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 323.31 g/mol, XLogP of -0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121156485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).