ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate

C13H19N3O4 — CID 137007505

IUPACethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C13H19N3O4/c1-3-20-13(18)9-4-6-16(7-5-9)11-10(19-2)12(17)15-8-14-11/h8-9H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyHIGSBBXCSVIOOA-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.56
Rot. Bonds4

About ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate

ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 137007505) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID137007505
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nameethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C13H19N3O4/c1-3-20-13(18)9-4-6-16(7-5-9)11-10(19-2)12(17)15-8-14-11/h8-9H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyHIGSBBXCSVIOOA-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
CID 136672029
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136958312
3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 136958746
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpiperidine-4-carboxylic acid
CID 136958849
4-ethyl-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136958855
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid
CID 136958859
ethyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136959023
2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid
CID 136959276
2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]-2-methylpropanoic acid
CID 136972364
4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136973295
4-[4-(hydroxymethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136979561
4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136980766

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate (CID 137007505) is ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc[nH]c(=O)c2OC)CC1.
What is the InChIKey of ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is HIGSBBXCSVIOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-20-13(18)9-4-6-16(7-5-9)11-10(19-2)12(17)15-8-14-11/h8-9H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate?
ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 137007505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).