1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

C18H21N3O — CID 95826525

IUPAC1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1c1cncc(-c2ccccc2C)n1
InChIInChI=1S/C18H21N3O/c1-13-7-3-4-8-15(13)16-11-19-12-17(20-16)18-9-5-6-10-21(18)14(2)22/h3-4,7-8,11-12,18H,5-6,9-10H2,1-2H3/t18-/m1/s1
InChIKeyGPCABUJOTFXSOZ-GOSISDBHSA-N
MW295.39 g/mol
LogP3.53
Rot. Bonds2

About 1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95826525) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95826525
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1c1cncc(-c2ccccc2C)n1
InChIInChI=1S/C18H21N3O/c1-13-7-3-4-8-15(13)16-11-19-12-17(20-16)18-9-5-6-10-21(18)14(2)22/h3-4,7-8,11-12,18H,5-6,9-10H2,1-2H3/t18-/m1/s1
InChIKeyGPCABUJOTFXSOZ-GOSISDBHSA-N
XLogP3.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-[6-(2-methylphenyl)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

Related Compounds

1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 95826518
1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone
CID 95804809
cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819881
1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95826460
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 102539175
1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110267974
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 95836171
1-[(2S)-2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124940144
1-[2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110117305
1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956770

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95826525) is 1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC[C@@H]1c1cncc(-c2ccccc2C)n1.
What is the InChIKey of 1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is GPCABUJOTFXSOZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-7-3-4-8-15(13)16-11-19-12-17(20-16)18-9-5-6-10-21(18)14(2)22/h3-4,7-8,11-12,18H,5-6,9-10H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 295.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95826525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).