1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione

C15H20N2O3 — CID 94285171

IUPAC1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione
SMILESCCN1CCN(C(=O)C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C15H20N2O3/c1-3-16-8-10-17(11-9-16)15(19)14(18)12-6-4-5-7-13(12)20-2/h4-7H,3,8-11H2,1-2H3
InChIKeyGVHSTBNYXHPESV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.04
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione

1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione (PubChem CID 94285171) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione
PubChem CID94285171
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione
SMILESCCN1CCN(C(=O)C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C15H20N2O3/c1-3-16-8-10-17(11-9-16)15(19)14(18)12-6-4-5-7-13(12)20-2/h4-7H,3,8-11H2,1-2H3
InChIKeyGVHSTBNYXHPESV-UHFFFAOYSA-N
XLogP1.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione (CID 94285171) is 1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione is CCN1CCN(C(=O)C(=O)c2ccccc2OC)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione?
The InChIKey is GVHSTBNYXHPESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-16-8-10-17(11-9-16)15(19)14(18)12-6-4-5-7-13(12)20-2/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione?
1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione has a molecular weight of 276.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethane-1,2-dione is sourced from PubChem (CID 94285171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).