4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one

C11H20N2O — CID 158891837

IUPAC4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one
SMILESC=C1C(=O)N(CC(C)C)CCN1CC
InChIInChI=1S/C11H20N2O/c1-5-12-6-7-13(8-9(2)3)11(14)10(12)4/h9H,4-8H2,1-3H3
InChIKeySRQLKYBOLGHTMG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.32
Rot. Bonds3

About 4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one

4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one (PubChem CID 158891837) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one
PubChem CID158891837
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one
SMILESC=C1C(=O)N(CC(C)C)CCN1CC
InChIInChI=1S/C11H20N2O/c1-5-12-6-7-13(8-9(2)3)11(14)10(12)4/h9H,4-8H2,1-3H3
InChIKeySRQLKYBOLGHTMG-UHFFFAOYSA-N
XLogP1.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one (CID 158891837) is 4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one is C=C1C(=O)N(CC(C)C)CCN1CC.
What is the InChIKey of 4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is SRQLKYBOLGHTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-12-6-7-13(8-9(2)3)11(14)10(12)4/h9H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one?
4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 158891837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).