3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione

C14H18N2O3 — CID 64878650

IUPAC3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(CCOc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-14(2)13(18)16(10-12(17)15-14)8-9-19-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,17)
InChIKeyRTAXNPNUQMIIBY-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.80
Rot. Bonds4

About 3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione

3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione (PubChem CID 64878650) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione
PubChem CID64878650
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(CCOc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-14(2)13(18)16(10-12(17)15-14)8-9-19-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,17)
InChIKeyRTAXNPNUQMIIBY-UHFFFAOYSA-N
XLogP0.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 112592173
1-(3-phenoxypropyl)piperazine-2,5-dione
CID 64873257
3,3-dimethyl-1-(4-propoxyphenyl)piperazine-2,5-dione
CID 64968760
1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64967331
1-(2-cyclopentyloxyethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64971714
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823
3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64878643
1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione
CID 64961037
1-heptyl-3,3-dimethylpiperazine-2,5-dione
CID 64879590
3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64879598
3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970606
1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione
CID 81110235

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione (CID 64878650) is 3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione is CC1(C)NC(=O)CN(CCOc2ccccc2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione?
The InChIKey is RTAXNPNUQMIIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2)13(18)16(10-12(17)15-14)8-9-19-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,17).
What are the key properties of 3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione?
3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 64878650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).