5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one

C14H20N4O4 — CID 70340011

IUPAC5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)C2CNCCN2C(=O)C2CCC(=O)N2)N1
InChIInChI=1S/C14H20N4O4/c19-11-3-1-8(16-11)13(21)10-7-15-5-6-18(10)14(22)9-2-4-12(20)17-9/h8-10,15H,1-7H2,(H,16,19)(H,17,20)
InChIKeyOQBHHVBQZOYQAN-UHFFFAOYSA-N
MW308.34 g/mol
LogP-2.09
Rot. Bonds3

About 5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one

5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one (PubChem CID 70340011) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one
PubChem CID70340011
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)C2CNCCN2C(=O)C2CCC(=O)N2)N1
InChIInChI=1S/C14H20N4O4/c19-11-3-1-8(16-11)13(21)10-7-15-5-6-18(10)14(22)9-2-4-12(20)17-9/h8-10,15H,1-7H2,(H,16,19)(H,17,20)
InChIKeyOQBHHVBQZOYQAN-UHFFFAOYSA-N
XLogP-2.09
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one (CID 70340011) is 5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)C2CNCCN2C(=O)C2CCC(=O)N2)N1.
What is the InChIKey of 5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one?
The InChIKey is OQBHHVBQZOYQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c19-11-3-1-8(16-11)13(21)10-7-15-5-6-18(10)14(22)9-2-4-12(20)17-9/h8-10,15H,1-7H2,(H,16,19)(H,17,20).
What are the key properties of 5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one?
5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one has a molecular weight of 308.34 g/mol, XLogP of -2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-oxopyrrolidine-2-carbonyl)piperazine-2-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 70340011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).