4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one

C11H20N2O4 — CID 63607388

IUPAC4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCOCCOCC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C11H20N2O4/c1-11(2)10(15)12-4-5-13(11)9(14)8-17-7-6-16-3/h4-8H2,1-3H3,(H,12,15)
InChIKeyFKHBVCDREPPUNL-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.61
Rot. Bonds5

About 4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one

4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63607388) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one
PubChem CID63607388
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCOCCOCC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C11H20N2O4/c1-11(2)10(15)12-4-5-13(11)9(14)8-17-7-6-16-3/h4-8H2,1-3H3,(H,12,15)
InChIKeyFKHBVCDREPPUNL-UHFFFAOYSA-N
XLogP-0.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.61
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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Related Compounds

3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one
CID 63875734
4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362344
4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one
CID 103209266
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213
3,3-dimethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 63938495
4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 23790775
4-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethoxy]benzonitrile
CID 63362385
N-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 63605846
4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362347
4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one
CID 63608228

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one (CID 63607388) is 4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one is COCCOCC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is FKHBVCDREPPUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2)10(15)12-4-5-13(11)9(14)8-17-7-6-16-3/h4-8H2,1-3H3,(H,12,15).
What are the key properties of 4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one?
4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 244.29 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63607388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).