1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one

C11H22N2O2 — CID 59908451

IUPAC1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one
SMILESCOCN1CC(C)(C)N(C)C(C)(C)C1=O
InChIInChI=1S/C11H22N2O2/c1-10(2)7-13(8-15-6)9(14)11(3,4)12(10)5/h7-8H2,1-6H3
InChIKeyGQDCIPAVQUUBLU-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.92
Rot. Bonds2

About 1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one

1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one (PubChem CID 59908451) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one.

Molecular Properties

Compound Name1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one
PubChem CID59908451
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one
SMILESCOCN1CC(C)(C)N(C)C(C)(C)C1=O
InChIInChI=1S/C11H22N2O2/c1-10(2)7-13(8-15-6)9(14)11(3,4)12(10)5/h7-8H2,1-6H3
InChIKeyGQDCIPAVQUUBLU-UHFFFAOYSA-N
XLogP0.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one?
The IUPAC name of 1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one (CID 59908451) is 1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one.
What is the SMILES notation for 1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one?
The canonical SMILES for 1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one is COCN1CC(C)(C)N(C)C(C)(C)C1=O.
What is the InChIKey of 1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one?
The InChIKey is GQDCIPAVQUUBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2)7-13(8-15-6)9(14)11(3,4)12(10)5/h7-8H2,1-6H3.
What are the key properties of 1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one?
1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3,3,4,5,5-pentamethylpiperazin-2-one is sourced from PubChem (CID 59908451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).