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

C15H26N4O3 — CID 1258791

IUPAC2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCCN1C(=O)C[C@@H](N2CCN(CC(=O)NC(C)C)CC2)C1=O
InChIInChI=1S/C15H26N4O3/c1-4-19-14(21)9-12(15(19)22)18-7-5-17(6-8-18)10-13(20)16-11(2)3/h11-12H,4-10H2,1-3H3,(H,16,20)/t12-/m1/s1
InChIKeyPQJPHELBDBOEIA-GFCCVEGCSA-N
MW310.40 g/mol
LogP-0.72
Rot. Bonds5

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

2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 1258791) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID1258791
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCCN1C(=O)C[C@@H](N2CCN(CC(=O)NC(C)C)CC2)C1=O
InChIInChI=1S/C15H26N4O3/c1-4-19-14(21)9-12(15(19)22)18-7-5-17(6-8-18)10-13(20)16-11(2)3/h11-12H,4-10H2,1-3H3,(H,16,20)/t12-/m1/s1
InChIKeyPQJPHELBDBOEIA-GFCCVEGCSA-N
XLogP-0.72
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.72
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-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 1258791) is 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide is CCN1C(=O)C[C@@H](N2CCN(CC(=O)NC(C)C)CC2)C1=O.
What is the InChIKey of 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is PQJPHELBDBOEIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-4-19-14(21)9-12(15(19)22)18-7-5-17(6-8-18)10-13(20)16-11(2)3/h11-12H,4-10H2,1-3H3,(H,16,20)/t12-/m1/s1.
What are the key properties of 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 310.40 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 1258791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).