methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate

C12H17N3O3 — CID 26436414

IUPACmethyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C12H17N3O3/c1-17-10-3-6-13-12(14-10)15-7-4-9(5-8-15)11(16)18-2/h3,6,9H,4-5,7-8H2,1-2H3
InChIKeyIOEUQRWCCZGXKF-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.87
Rot. Bonds3

About methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate

methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 26436414) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID26436414
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C12H17N3O3/c1-17-10-3-6-13-12(14-10)15-7-4-9(5-8-15)11(16)18-2/h3,6,9H,4-5,7-8H2,1-2H3
InChIKeyIOEUQRWCCZGXKF-UHFFFAOYSA-N
XLogP0.87
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate (CID 26436414) is methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2nccc(OC)n2)CC1.
What is the InChIKey of methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is IOEUQRWCCZGXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-10-3-6-13-12(14-10)15-7-4-9(5-8-15)11(16)18-2/h3,6,9H,4-5,7-8H2,1-2H3.
What are the key properties of methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate?
methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 26436414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).