2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine

C16H23N5O — CID 124955741

IUPAC2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine
SMILESCOCCN1CCC[C@@H](c2cncc(-c3cnn(C)c3)n2)C1
InChIInChI=1S/C16H23N5O/c1-20-11-14(8-18-20)16-10-17-9-15(19-16)13-4-3-5-21(12-13)6-7-22-2/h8-11,13H,3-7,12H2,1-2H3/t13-/m1/s1
InChIKeyFMCGDLSPQJSHRI-CYBMUJFWSA-N
MW301.39 g/mol
LogP1.70
Rot. Bonds5

About 2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine

2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine (PubChem CID 124955741) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine
PubChem CID124955741
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine
SMILESCOCCN1CCC[C@@H](c2cncc(-c3cnn(C)c3)n2)C1
InChIInChI=1S/C16H23N5O/c1-20-11-14(8-18-20)16-10-17-9-15(19-16)13-4-3-5-21(12-13)6-7-22-2/h8-11,13H,3-7,12H2,1-2H3/t13-/m1/s1
InChIKeyFMCGDLSPQJSHRI-CYBMUJFWSA-N
XLogP1.70
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine (CID 124955741) is 2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine is COCCN1CCC[C@@H](c2cncc(-c3cnn(C)c3)n2)C1.
What is the InChIKey of 2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine?
The InChIKey is FMCGDLSPQJSHRI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O/c1-20-11-14(8-18-20)16-10-17-9-15(19-16)13-4-3-5-21(12-13)6-7-22-2/h8-11,13H,3-7,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine?
2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine has a molecular weight of 301.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 124955741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).