1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone

C9H16N2O — CID 89019253

IUPAC1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone
SMILESC=C1CN(CC)CCN1C(C)=O
InChIInChI=1S/C9H16N2O/c1-4-10-5-6-11(9(3)12)8(2)7-10/h2,4-7H2,1,3H3
InChIKeyQJFRFMRHJXRTNR-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.68
Rot. Bonds1

About 1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone

1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone (PubChem CID 89019253) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone
PubChem CID89019253
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone
SMILESC=C1CN(CC)CCN1C(C)=O
InChIInChI=1S/C9H16N2O/c1-4-10-5-6-11(9(3)12)8(2)7-10/h2,4-7H2,1,3H3
InChIKeyQJFRFMRHJXRTNR-UHFFFAOYSA-N
XLogP0.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone (CID 89019253) is 1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone is C=C1CN(CC)CCN1C(C)=O.
What is the InChIKey of 1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone?
The InChIKey is QJFRFMRHJXRTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-10-5-6-11(9(3)12)8(2)7-10/h2,4-7H2,1,3H3.
What are the key properties of 1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone?
1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-methylidenepiperazin-1-yl)ethanone is sourced from PubChem (CID 89019253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).