tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate

C15H23N3O4 — CID 59504999

IUPACtert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
SMILESCC1=NC(=O)C(C2CCN(C(=O)OC(C)(C)C)CC2)C(=O)N1
InChIInChI=1S/C15H23N3O4/c1-9-16-12(19)11(13(20)17-9)10-5-7-18(8-6-10)14(21)22-15(2,3)4/h10-11H,5-8H2,1-4H3,(H,16,17,19,20)
InChIKeyFJZHNBLLHOLPMM-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.32
Rot. Bonds1

About tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate

tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate (PubChem CID 59504999) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
PubChem CID59504999
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
SMILESCC1=NC(=O)C(C2CCN(C(=O)OC(C)(C)C)CC2)C(=O)N1
InChIInChI=1S/C15H23N3O4/c1-9-16-12(19)11(13(20)17-9)10-5-7-18(8-6-10)14(21)22-15(2,3)4/h10-11H,5-8H2,1-4H3,(H,16,17,19,20)
InChIKeyFJZHNBLLHOLPMM-UHFFFAOYSA-N
XLogP1.32
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate (CID 59504999) is tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate is CC1=NC(=O)C(C2CCN(C(=O)OC(C)(C)C)CC2)C(=O)N1.
What is the InChIKey of tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate?
The InChIKey is FJZHNBLLHOLPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-9-16-12(19)11(13(20)17-9)10-5-7-18(8-6-10)14(21)22-15(2,3)4/h10-11H,5-8H2,1-4H3,(H,16,17,19,20).
What are the key properties of tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59504999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).