2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C18H21N3O2 — CID 762691

IUPAC2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H21N3O2/c1-23-16-7-3-2-6-15(16)14-18(22)21-12-10-20(11-13-21)17-8-4-5-9-19-17/h2-9H,10-14H2,1H3
InChIKeyNXFBQGPCVWTNBQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.98
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 762691) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID762691
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H21N3O2/c1-23-16-7-3-2-6-15(16)14-18(22)21-12-10-20(11-13-21)17-8-4-5-9-19-17/h2-9H,10-14H2,1H3
InChIKeyNXFBQGPCVWTNBQ-UHFFFAOYSA-N
XLogP1.98
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-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

Related Compounds

2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767938
2-(5-chloro-2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767256
2-(2-methoxyphenyl)-1-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanone
CID 138385444
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944
2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122336416
2-(2-methoxyphenyl)-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 95100131
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-[(2-methoxyphenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108892372
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
2-(2-methoxy-4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 18104765

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 762691) is 2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is COc1ccccc1CC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is NXFBQGPCVWTNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-16-7-3-2-6-15(16)14-18(22)21-12-10-20(11-13-21)17-8-4-5-9-19-17/h2-9H,10-14H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 311.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 762691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).