1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione

C13H23N3O3 — CID 83290625

IUPAC1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione
SMILESCOCCN1CCN(CC2CCNCC2)C(=O)C1=O
InChIInChI=1S/C13H23N3O3/c1-19-9-8-15-6-7-16(13(18)12(15)17)10-11-2-4-14-5-3-11/h11,14H,2-10H2,1H3
InChIKeyYQCUKVNKVZRVEL-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.70
Rot. Bonds5

About 1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione

1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione (PubChem CID 83290625) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione
PubChem CID83290625
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione
SMILESCOCCN1CCN(CC2CCNCC2)C(=O)C1=O
InChIInChI=1S/C13H23N3O3/c1-19-9-8-15-6-7-16(13(18)12(15)17)10-11-2-4-14-5-3-11/h11,14H,2-10H2,1H3
InChIKeyYQCUKVNKVZRVEL-UHFFFAOYSA-N
XLogP-0.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
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-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione?
The IUPAC name of 1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione (CID 83290625) is 1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione?
The canonical SMILES for 1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione is COCCN1CCN(CC2CCNCC2)C(=O)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione?
The InChIKey is YQCUKVNKVZRVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-19-9-8-15-6-7-16(13(18)12(15)17)10-11-2-4-14-5-3-11/h11,14H,2-10H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione?
1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione has a molecular weight of 269.34 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione is sourced from PubChem (CID 83290625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).