1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone

C17H27N5O2 — CID 56799226

IUPAC1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
SMILESCC1CN(C2CCN(C(=O)CN(C)c3cnccn3)CC2)CCO1
InChIInChI=1S/C17H27N5O2/c1-14-12-22(9-10-24-14)15-3-7-21(8-4-15)17(23)13-20(2)16-11-18-5-6-19-16/h5-6,11,14-15H,3-4,7-10,12-13H2,1-2H3
InChIKeyKQJQETZESTZXIV-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.62
Rot. Bonds4

About 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone

1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone (PubChem CID 56799226) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
PubChem CID56799226
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
SMILESCC1CN(C2CCN(C(=O)CN(C)c3cnccn3)CC2)CCO1
InChIInChI=1S/C17H27N5O2/c1-14-12-22(9-10-24-14)15-3-7-21(8-4-15)17(23)13-20(2)16-11-18-5-6-19-16/h5-6,11,14-15H,3-4,7-10,12-13H2,1-2H3
InChIKeyKQJQETZESTZXIV-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The IUPAC name of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone (CID 56799226) is 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone.
What is the SMILES notation for 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The canonical SMILES for 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone is CC1CN(C2CCN(C(=O)CN(C)c3cnccn3)CC2)CCO1.
What is the InChIKey of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The InChIKey is KQJQETZESTZXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-14-12-22(9-10-24-14)15-3-7-21(8-4-15)17(23)13-20(2)16-11-18-5-6-19-16/h5-6,11,14-15H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone has a molecular weight of 333.44 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone is sourced from PubChem (CID 56799226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).