1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one

C11H22N2O2 — CID 146478691

IUPAC1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one
SMILESCOCCN1CCN(C(C)C)C(C)C1=O
InChIInChI=1S/C11H22N2O2/c1-9(2)13-6-5-12(7-8-15-4)11(14)10(13)3/h9-10H,5-8H2,1-4H3
InChIKeyGHWOSRZRZNUENT-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.57
Rot. Bonds4

About 1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one

1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one (PubChem CID 146478691) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one
PubChem CID146478691
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one
SMILESCOCCN1CCN(C(C)C)C(C)C1=O
InChIInChI=1S/C11H22N2O2/c1-9(2)13-6-5-12(7-8-15-4)11(14)10(13)3/h9-10H,5-8H2,1-4H3
InChIKeyGHWOSRZRZNUENT-UHFFFAOYSA-N
XLogP0.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one (CID 146478691) is 1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one is COCCN1CCN(C(C)C)C(C)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one?
The InChIKey is GHWOSRZRZNUENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)13-6-5-12(7-8-15-4)11(14)10(13)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one?
1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 146478691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).