methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate

C13H19N3O4 — CID 137007566

IUPACmethyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1nc[nH]c(=O)c1OC
InChIInChI=1S/C13H19N3O4/c1-19-10(17)7-9-5-3-4-6-16(9)12-11(20-2)13(18)15-8-14-12/h8-9H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyOEFGGZLFNIBFNP-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.70
Rot. Bonds4

About methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate

methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate (PubChem CID 137007566) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
PubChem CID137007566
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1nc[nH]c(=O)c1OC
InChIInChI=1S/C13H19N3O4/c1-19-10(17)7-9-5-3-4-6-16(9)12-11(20-2)13(18)15-8-14-12/h8-9H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyOEFGGZLFNIBFNP-UHFFFAOYSA-N
XLogP0.70
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate (CID 137007566) is methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1c1nc[nH]c(=O)c1OC.
What is the InChIKey of methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The InChIKey is OEFGGZLFNIBFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-19-10(17)7-9-5-3-4-6-16(9)12-11(20-2)13(18)15-8-14-12/h8-9H,3-7H2,1-2H3,(H,14,15,18).
What are the key properties of methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate has a molecular weight of 281.31 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 137007566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).