methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate

C15H23N3O3 — CID 115973681

IUPACmethyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nc(C)cc(OC(C)C)n2)CC1
InChIInChI=1S/C15H23N3O3/c1-10(2)21-13-9-11(3)16-15(17-13)18-7-5-12(6-8-18)14(19)20-4/h9-10,12H,5-8H2,1-4H3
InChIKeyOFFOCDQXSSJXSC-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.96
Rot. Bonds4

About methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate

methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 115973681) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID115973681
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nc(C)cc(OC(C)C)n2)CC1
InChIInChI=1S/C15H23N3O3/c1-10(2)21-13-9-11(3)16-15(17-13)18-7-5-12(6-8-18)14(19)20-4/h9-10,12H,5-8H2,1-4H3
InChIKeyOFFOCDQXSSJXSC-UHFFFAOYSA-N
XLogP1.96
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate
CID 115973724
3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115973583
2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine
CID 114682612
2-[4-(1-bromoethyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
CID 106838651
N-(2-methoxyethyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 43817666
1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 115972892
2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine
CID 115973290
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117
methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 114276570
[4-methyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 107160311
3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115973046
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate (CID 115973681) is methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2nc(C)cc(OC(C)C)n2)CC1.
What is the InChIKey of methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is OFFOCDQXSSJXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)21-13-9-11(3)16-15(17-13)18-7-5-12(6-8-18)14(19)20-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate?
methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 115973681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).