1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione

C13H24N2O4 — CID 103184685

IUPAC1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCOCCCOCCN1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C13H24N2O4/c1-10(2)12-13(17)15(9-11(16)14-12)5-8-19-7-4-6-18-3/h10,12H,4-9H2,1-3H3,(H,14,16)
InChIKeyPSEJJXXDNZOZOG-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.02
Rot. Bonds8

About 1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione

1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 103184685) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID103184685
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCOCCCOCCN1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C13H24N2O4/c1-10(2)12-13(17)15(9-11(16)14-12)5-8-19-7-4-6-18-3/h10,12H,4-9H2,1-3H3,(H,14,16)
InChIKeyPSEJJXXDNZOZOG-UHFFFAOYSA-N
XLogP0.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione (CID 103184685) is 1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione is COCCCOCCN1CC(=O)NC(C(C)C)C1=O.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is PSEJJXXDNZOZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(2)12-13(17)15(9-11(16)14-12)5-8-19-7-4-6-18-3/h10,12H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 272.34 g/mol, XLogP of 0.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 103184685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).