2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone

C13H20N4O — CID 110269942

IUPAC2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCCC1c1nccc(C)n1
InChIInChI=1S/C13H20N4O/c1-10-6-7-15-13(16-10)11-5-3-4-8-17(11)12(18)9-14-2/h6-7,11,14H,3-5,8-9H2,1-2H3
InChIKeyRGOAKWVHNHHOAO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds3

About 2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone

2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone (PubChem CID 110269942) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
PubChem CID110269942
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCCC1c1nccc(C)n1
InChIInChI=1S/C13H20N4O/c1-10-6-7-15-13(16-10)11-5-3-4-8-17(11)12(18)9-14-2/h6-7,11,14H,3-5,8-9H2,1-2H3
InChIKeyRGOAKWVHNHHOAO-UHFFFAOYSA-N
XLogP1.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone (CID 110269942) is 2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone is CNCC(=O)N1CCCCC1c1nccc(C)n1.
What is the InChIKey of 2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is RGOAKWVHNHHOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-6-7-15-13(16-10)11-5-3-4-8-17(11)12(18)9-14-2/h6-7,11,14H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone?
2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110269942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).