2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone

C18H22N4O3 — CID 95843684

IUPAC2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nccnc2Oc2cccnc2C)CC1
InChIInChI=1S/C18H22N4O3/c1-13-15(4-3-7-19-13)25-18-17(20-8-9-21-18)14-5-10-22(11-6-14)16(23)12-24-2/h3-4,7-9,14H,5-6,10-12H2,1-2H3
InChIKeyMWRBJDFLHONZEV-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.32
Rot. Bonds5

About 2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone

2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95843684) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95843684
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nccnc2Oc2cccnc2C)CC1
InChIInChI=1S/C18H22N4O3/c1-13-15(4-3-7-19-13)25-18-17(20-8-9-21-18)14-5-10-22(11-6-14)16(23)12-24-2/h3-4,7-9,14H,5-6,10-12H2,1-2H3
InChIKeyMWRBJDFLHONZEV-UHFFFAOYSA-N
XLogP2.32
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-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 2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95843684) is 2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCC(c2nccnc2Oc2cccnc2C)CC1.
What is the InChIKey of 2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is MWRBJDFLHONZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-15(4-3-7-19-13)25-18-17(20-8-9-21-18)14-5-10-22(11-6-14)16(23)12-24-2/h3-4,7-9,14H,5-6,10-12H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 342.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95843684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).