1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone

C13H19N3O2 — CID 170861337

IUPAC1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1cncc(C(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C13H19N3O2/c1-15-3-5-16(6-4-15)10-13(17)11-7-12(18-2)9-14-8-11/h7-9H,3-6,10H2,1-2H3
InChIKeyZDIFLMPWQFXFGL-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.52
Rot. Bonds4

About 1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone

1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170861337) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170861337
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1cncc(C(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C13H19N3O2/c1-15-3-5-16(6-4-15)10-13(17)11-7-12(18-2)9-14-8-11/h7-9H,3-6,10H2,1-2H3
InChIKeyZDIFLMPWQFXFGL-UHFFFAOYSA-N
XLogP0.52
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-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-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014
1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862095
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861605
2-(1,4-diazepan-1-yl)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116565638
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279
3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one
CID 116555889
1-(3-methoxyphenyl)-3-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea
CID 170861674
2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
CID 115793367
1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193900

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 170861337) is 1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone is COc1cncc(C(=O)CN2CCN(C)CC2)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is ZDIFLMPWQFXFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-3-5-16(6-4-15)10-13(17)11-7-12(18-2)9-14-8-11/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170861337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).