4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one

C13H26N2O3 — CID 138669257

IUPAC4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one
SMILESCOCCOCCN1CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C13H26N2O3/c1-13(2,3)15-6-5-14(12(16)11-15)7-8-18-10-9-17-4/h5-11H2,1-4H3
InChIKeyPLZZDCYVMZNGLC-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.59
Rot. Bonds6

About 4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one

4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one (PubChem CID 138669257) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one
PubChem CID138669257
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one
SMILESCOCCOCCN1CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C13H26N2O3/c1-13(2,3)15-6-5-14(12(16)11-15)7-8-18-10-9-17-4/h5-11H2,1-4H3
InChIKeyPLZZDCYVMZNGLC-UHFFFAOYSA-N
XLogP0.59
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one
CID 104563220
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazolidine-2,4-dione
CID 113427526
1-[3-(2-methoxyethoxy)propyl]piperidin-3-one
CID 103409853
3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64880764
4-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazine-2,5-dione
CID 87941958
3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 79282153
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64880925
2-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1H-2-benzazepin-3-one
CID 162637387
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one
CID 104566176
6-[2-(2-methoxyethoxy)ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83256016
1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione
CID 77073110
1-[3-(2-methoxyethoxy)propyl]piperazin-2-one
CID 103412181

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one?
The IUPAC name of 4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one (CID 138669257) is 4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one.
What is the SMILES notation for 4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one?
The canonical SMILES for 4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one is COCCOCCN1CCN(C(C)(C)C)CC1=O.
What is the InChIKey of 4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one?
The InChIKey is PLZZDCYVMZNGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,3)15-6-5-14(12(16)11-15)7-8-18-10-9-17-4/h5-11H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one?
4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one has a molecular weight of 258.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one is sourced from PubChem (CID 138669257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).