methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate

C12H17N3O4 — CID 136989706

IUPACmethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C12H17N3O4/c1-18-9-10(13-7-14-11(9)16)15-5-3-4-8(6-15)12(17)19-2/h7-8H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyQGSKOHQHGYWKHG-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.17
Rot. Bonds3

About methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate

methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate (PubChem CID 136989706) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate
PubChem CID136989706
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C12H17N3O4/c1-18-9-10(13-7-14-11(9)16)15-5-3-4-8(6-15)12(17)19-2/h7-8H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyQGSKOHQHGYWKHG-UHFFFAOYSA-N
XLogP0.17
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate (CID 136989706) is methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2nc[nH]c(=O)c2OC)C1.
What is the InChIKey of methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate?
The InChIKey is QGSKOHQHGYWKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-18-9-10(13-7-14-11(9)16)15-5-3-4-8(6-15)12(17)19-2/h7-8H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate?
methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 136989706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).