(4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone

C12H18N2O2 — CID 142266447

IUPAC(4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone
SMILESCCN1CCN(C(=O)C2=CCC=CO2)CC1
InChIInChI=1S/C12H18N2O2/c1-2-13-6-8-14(9-7-13)12(15)11-5-3-4-10-16-11/h4-5,10H,2-3,6-9H2,1H3
InChIKeyAQQVVEFJNWRDMF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.97
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone

(4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone (PubChem CID 142266447) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone
PubChem CID142266447
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone
SMILESCCN1CCN(C(=O)C2=CCC=CO2)CC1
InChIInChI=1S/C12H18N2O2/c1-2-13-6-8-14(9-7-13)12(15)11-5-3-4-10-16-11/h4-5,10H,2-3,6-9H2,1H3
InChIKeyAQQVVEFJNWRDMF-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone
CID 97094843
piperazin-1-yl(4H-pyran-2-yl)methanone
CID 70333816
2,3-Dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone
CID 70950381
4-[(E)-4-oxopent-2-enyl]morpholin-3-one
CID 118400708
ethane;(Z)-2-ethoxy-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 141954450
(Z)-2-ethoxy-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 141954451
ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
CID 142145699
(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
CID 142145700
(4-methylpiperazin-1-yl)-(4H-pyran-2-yl)methanone
CID 143290782
2,3-Dihydrofuran-5-yl-(4-methylpiperazin-1-yl)methanone
CID 143306085
4,5-Dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone;ethane
CID 143432826
(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one
CID 143432990

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone (CID 142266447) is (4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone is CCN1CCN(C(=O)C2=CCC=CO2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone?
The InChIKey is AQQVVEFJNWRDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-13-6-8-14(9-7-13)12(15)11-5-3-4-10-16-11/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone?
(4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone is sourced from PubChem (CID 142266447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).