methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate

C13H19N3O3 — CID 136989672

IUPACmethyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H19N3O3/c1-9-14-11(8-12(17)15-9)16-6-4-3-5-10(16)7-13(18)19-2/h8,10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyUBWHRQPSINNLRE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.00
Rot. Bonds3

About methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate

methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate (PubChem CID 136989672) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
PubChem CID136989672
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H19N3O3/c1-9-14-11(8-12(17)15-9)16-6-4-3-5-10(16)7-13(18)19-2/h8,10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyUBWHRQPSINNLRE-UHFFFAOYSA-N
XLogP1.00
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate (CID 136989672) is methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1c1cc(=O)[nH]c(C)n1.
What is the InChIKey of methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The InChIKey is UBWHRQPSINNLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-14-11(8-12(17)15-9)16-6-4-3-5-10(16)7-13(18)19-2/h8,10H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 136989672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).