methyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate

C15H22N4O3 — CID 649308

IUPACmethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C15H22N4O3/c1-10-8-11(2)18-15(17-10)19-6-4-12(5-7-19)14(21)16-9-13(20)22-3/h8,12H,4-7,9H2,1-3H3,(H,16,21)
InChIKeyLZBLNQHIGVOQON-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.60
Rot. Bonds4

About methyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate

methyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate (PubChem CID 649308) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is methyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate
PubChem CID649308
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Namemethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C15H22N4O3/c1-10-8-11(2)18-15(17-10)19-6-4-12(5-7-19)14(21)16-9-13(20)22-3/h8,12H,4-7,9H2,1-3H3,(H,16,21)
InChIKeyLZBLNQHIGVOQON-UHFFFAOYSA-N
XLogP0.60
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate (CID 649308) is methyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate is COC(=O)CNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1.
What is the InChIKey of methyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate?
The InChIKey is LZBLNQHIGVOQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-8-11(2)18-15(17-10)19-6-4-12(5-7-19)14(21)16-9-13(20)22-3/h8,12H,4-7,9H2,1-3H3,(H,16,21).
What are the key properties of methyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate?
methyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate has a molecular weight of 306.37 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 649308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).