1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one

C14H20N2O2 — CID 82296410

IUPAC1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one
SMILESCCc1ccc(OC)c(CN2CCNCC2=O)c1
InChIInChI=1S/C14H20N2O2/c1-3-11-4-5-13(18-2)12(8-11)10-16-7-6-15-9-14(16)17/h4-5,8,15H,3,6-7,9-10H2,1-2H3
InChIKeyHGSDRAUTZVHPBT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.19
Rot. Bonds4

About 1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one

1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one (PubChem CID 82296410) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one
PubChem CID82296410
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one
SMILESCCc1ccc(OC)c(CN2CCNCC2=O)c1
InChIInChI=1S/C14H20N2O2/c1-3-11-4-5-13(18-2)12(8-11)10-16-7-6-15-9-14(16)17/h4-5,8,15H,3,6-7,9-10H2,1-2H3
InChIKeyHGSDRAUTZVHPBT-UHFFFAOYSA-N
XLogP1.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one 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

1-[(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepan-2-one
CID 65361687
4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159584
2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82090895
ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 142142989
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
CID 62018410
2-methoxy-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzonitrile
CID 106793389
1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229991
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704
1-[(3-bromo-4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 64872857
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
CID 126789862
1-[(5-amino-2-methoxyphenyl)methyl]imidazolidin-2-one
CID 61014700

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one?
The IUPAC name of 1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one (CID 82296410) is 1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one?
The canonical SMILES for 1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one is CCc1ccc(OC)c(CN2CCNCC2=O)c1.
What is the InChIKey of 1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one?
The InChIKey is HGSDRAUTZVHPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-11-4-5-13(18-2)12(8-11)10-16-7-6-15-9-14(16)17/h4-5,8,15H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one?
1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 82296410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).