tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate

C18H28N4O4 — CID 58313000

IUPACtert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate
SMILESCOc1cc(C(C)=O)nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C18H28N4O4/c1-12(23)14-10-15(25-5)21-16(20-14)22-8-6-13(7-9-22)11-19-17(24)26-18(2,3)4/h10,13H,6-9,11H2,1-5H3,(H,19,24)
InChIKeyOFEIABOFEVMHGQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.43
Rot. Bonds5

About tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate (PubChem CID 58313000) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate
PubChem CID58313000
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Nametert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate
SMILESCOc1cc(C(C)=O)nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C18H28N4O4/c1-12(23)14-10-15(25-5)21-16(20-14)22-8-6-13(7-9-22)11-19-17(24)26-18(2,3)4/h10,13H,6-9,11H2,1-5H3,(H,19,24)
InChIKeyOFEIABOFEVMHGQ-UHFFFAOYSA-N
XLogP2.43
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate (CID 58313000) is tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate is COc1cc(C(C)=O)nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate?
The InChIKey is OFEIABOFEVMHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-12(23)14-10-15(25-5)21-16(20-14)22-8-6-13(7-9-22)11-19-17(24)26-18(2,3)4/h10,13H,6-9,11H2,1-5H3,(H,19,24).
What are the key properties of tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate has a molecular weight of 364.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 58313000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).