methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate

C13H19N3O3 — CID 66318081

IUPACmethyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1cc(OC)ncn1
InChIInChI=1S/C13H19N3O3/c1-18-12-8-11(14-9-15-12)16-6-4-3-5-10(16)7-13(17)19-2/h8-10H,3-7H2,1-2H3
InChIKeyGGBJCLUYNMZOHZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.41
Rot. Bonds4

About methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate

methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate (PubChem CID 66318081) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate
PubChem CID66318081
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1cc(OC)ncn1
InChIInChI=1S/C13H19N3O3/c1-18-12-8-11(14-9-15-12)16-6-4-3-5-10(16)7-13(17)19-2/h8-10H,3-7H2,1-2H3
InChIKeyGGBJCLUYNMZOHZ-UHFFFAOYSA-N
XLogP1.41
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate (CID 66318081) is methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1c1cc(OC)ncn1.
What is the InChIKey of methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate?
The InChIKey is GGBJCLUYNMZOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-12-8-11(14-9-15-12)16-6-4-3-5-10(16)7-13(17)19-2/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate?
methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 66318081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).