1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C15H21N3O5 — CID 127809345

IUPAC1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC1(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)COC1
InChIInChI=1S/C15H21N3O5/c1-15(9-23-10-15)14(22)17-6-4-16(5-7-17)13(21)8-18-11(19)2-3-12(18)20/h2-10H2,1H3
InChIKeyNYFKAOJEWJSKPT-UHFFFAOYSA-N
MW323.35 g/mol
LogP-1.16
Rot. Bonds3

About 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 127809345) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID127809345
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC1(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)COC1
InChIInChI=1S/C15H21N3O5/c1-15(9-23-10-15)14(22)17-6-4-16(5-7-17)13(21)8-18-11(19)2-3-12(18)20/h2-10H2,1H3
InChIKeyNYFKAOJEWJSKPT-UHFFFAOYSA-N
XLogP-1.16
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-1.16
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-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 127809345) is 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is CC1(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)COC1.
What is the InChIKey of 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is NYFKAOJEWJSKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-15(9-23-10-15)14(22)17-6-4-16(5-7-17)13(21)8-18-11(19)2-3-12(18)20/h2-10H2,1H3.
What are the key properties of 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 323.35 g/mol, XLogP of -1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 127809345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).