4-acetyl-1-ethyl-3-methylpiperazin-2-one

C9H16N2O2 — CID 20683717

IUPAC4-acetyl-1-ethyl-3-methylpiperazin-2-one
SMILESCCN1CCN(C(C)=O)C(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-4-10-5-6-11(8(3)12)7(2)9(10)13/h7H,4-6H2,1-3H3
InChIKeyNMRHFORGEXEJHT-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.09
Rot. Bonds1

About 4-acetyl-1-ethyl-3-methylpiperazin-2-one

4-acetyl-1-ethyl-3-methylpiperazin-2-one (PubChem CID 20683717) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-acetyl-1-ethyl-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-acetyl-1-ethyl-3-methylpiperazin-2-one
PubChem CID20683717
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-acetyl-1-ethyl-3-methylpiperazin-2-one
SMILESCCN1CCN(C(C)=O)C(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-4-10-5-6-11(8(3)12)7(2)9(10)13/h7H,4-6H2,1-3H3
InChIKeyNMRHFORGEXEJHT-UHFFFAOYSA-N
XLogP0.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-ethyl-3-methylpiperazin-2-one?
The IUPAC name of 4-acetyl-1-ethyl-3-methylpiperazin-2-one (CID 20683717) is 4-acetyl-1-ethyl-3-methylpiperazin-2-one.
What is the SMILES notation for 4-acetyl-1-ethyl-3-methylpiperazin-2-one?
The canonical SMILES for 4-acetyl-1-ethyl-3-methylpiperazin-2-one is CCN1CCN(C(C)=O)C(C)C1=O.
What is the InChIKey of 4-acetyl-1-ethyl-3-methylpiperazin-2-one?
The InChIKey is NMRHFORGEXEJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-10-5-6-11(8(3)12)7(2)9(10)13/h7H,4-6H2,1-3H3.
What are the key properties of 4-acetyl-1-ethyl-3-methylpiperazin-2-one?
4-acetyl-1-ethyl-3-methylpiperazin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-ethyl-3-methylpiperazin-2-one is sourced from PubChem (CID 20683717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).