2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide

C13H24N4O3+2 — CID 7298280

IUPAC2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[NH+]1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1
InChIInChI=1S/C13H22N4O3/c1-9(2)14-12(19)8-16-3-5-17(6-4-16)10-7-11(18)15-13(10)20/h9-10H,3-8H2,1-2H3,(H,14,19)(H,15,18,20)/p+2/t10-/m1/s1
InChIKeyUFSQCZWKGPANDX-SNVBAGLBSA-P
MW284.36 g/mol
LogP-4.29
Rot. Bonds4

About 2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide

2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide (PubChem CID 7298280) has the molecular formula C13H24N4O3+2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide
PubChem CID7298280
Molecular FormulaC13H24N4O3+2
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[NH+]1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1
InChIInChI=1S/C13H22N4O3/c1-9(2)14-12(19)8-16-3-5-17(6-4-16)10-7-11(18)15-13(10)20/h9-10H,3-8H2,1-2H3,(H,14,19)(H,15,18,20)/p+2/t10-/m1/s1
InChIKeyUFSQCZWKGPANDX-SNVBAGLBSA-P
XLogP-4.29
TPSA84.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-4.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide (CID 7298280) is 2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C[NH+]1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1.
What is the InChIKey of 2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide?
The InChIKey is UFSQCZWKGPANDX-SNVBAGLBSA-P. The full InChI is InChI=1S/C13H22N4O3/c1-9(2)14-12(19)8-16-3-5-17(6-4-16)10-7-11(18)15-13(10)20/h9-10H,3-8H2,1-2H3,(H,14,19)(H,15,18,20)/p+2/t10-/m1/s1.
What are the key properties of 2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide?
2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide has a molecular weight of 284.36 g/mol, XLogP of -4.29, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 7298280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).