2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide

C11H18N4O3 — CID 3631511

IUPAC2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide
SMILESCN1C(=O)CC(N2CCN(CC(N)=O)CC2)C1=O
InChIInChI=1S/C11H18N4O3/c1-13-10(17)6-8(11(13)18)15-4-2-14(3-5-15)7-9(12)16/h8H,2-7H2,1H3,(H2,12,16)
InChIKeyUJKPYGJVRUTPBK-UHFFFAOYSA-N
MW254.29 g/mol
LogP-2.15
Rot. Bonds3

About 2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide

2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide (PubChem CID 3631511) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide
PubChem CID3631511
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide
SMILESCN1C(=O)CC(N2CCN(CC(N)=O)CC2)C1=O
InChIInChI=1S/C11H18N4O3/c1-13-10(17)6-8(11(13)18)15-4-2-14(3-5-15)7-9(12)16/h8H,2-7H2,1H3,(H2,12,16)
InChIKeyUJKPYGJVRUTPBK-UHFFFAOYSA-N
XLogP-2.15
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
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 2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide (CID 3631511) is 2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide is CN1C(=O)CC(N2CCN(CC(N)=O)CC2)C1=O.
What is the InChIKey of 2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide?
The InChIKey is UJKPYGJVRUTPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-13-10(17)6-8(11(13)18)15-4-2-14(3-5-15)7-9(12)16/h8H,2-7H2,1H3,(H2,12,16).
What are the key properties of 2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide?
2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide has a molecular weight of 254.29 g/mol, XLogP of -2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3631511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).