N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide

C15H27N3O3 — CID 83035026

IUPACN-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCCC1(CC)CC(NC(=O)C(=O)N2CCNCC2)CCO1
InChIInChI=1S/C15H27N3O3/c1-3-15(4-2)11-12(5-10-21-15)17-13(19)14(20)18-8-6-16-7-9-18/h12,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyFIPIOKPISCTRCN-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.27
Rot. Bonds3

About N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide

N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 83035026) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID83035026
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCCC1(CC)CC(NC(=O)C(=O)N2CCNCC2)CCO1
InChIInChI=1S/C15H27N3O3/c1-3-15(4-2)11-12(5-10-21-15)17-13(19)14(20)18-8-6-16-7-9-18/h12,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyFIPIOKPISCTRCN-UHFFFAOYSA-N
XLogP0.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.27
H-Bond Donors ≤ 52
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 N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide (CID 83035026) is N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide is CCC1(CC)CC(NC(=O)C(=O)N2CCNCC2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is FIPIOKPISCTRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-15(4-2)11-12(5-10-21-15)17-13(19)14(20)18-8-6-16-7-9-18/h12,16H,3-11H2,1-2H3,(H,17,19).
What are the key properties of N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide?
N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 297.40 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 83035026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).