N-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide

C17H22N4O3 — CID 53201753

IUPACN-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2ccco2)c(N2CCCCC2)n1
InChIInChI=1S/C17H22N4O3/c1-13-10-16(23)21(17(19-13)20-7-3-2-4-8-20)12-15(22)18-11-14-6-5-9-24-14/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,18,22)
InChIKeyZWIOJQQSIXCFSO-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.45
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide

N-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide (PubChem CID 53201753) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
PubChem CID53201753
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2ccco2)c(N2CCCCC2)n1
InChIInChI=1S/C17H22N4O3/c1-13-10-16(23)21(17(19-13)20-7-3-2-4-8-20)12-15(22)18-11-14-6-5-9-24-14/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,18,22)
InChIKeyZWIOJQQSIXCFSO-UHFFFAOYSA-N
XLogP1.45
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide (CID 53201753) is N-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)NCc2ccco2)c(N2CCCCC2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The InChIKey is ZWIOJQQSIXCFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-13-10-16(23)21(17(19-13)20-7-3-2-4-8-20)12-15(22)18-11-14-6-5-9-24-14/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,18,22).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide has a molecular weight of 330.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 53201753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).