2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide

C19H23FN4O2 — CID 91913728

IUPAC2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
SMILESCc1nc(N2CCCCC2)n(CC(=O)Nc2cccc(F)c2)c(=O)c1C
InChIInChI=1S/C19H23FN4O2/c1-13-14(2)21-19(23-9-4-3-5-10-23)24(18(13)26)12-17(25)22-16-8-6-7-15(20)11-16/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,22,25)
InChIKeyVWVBYRMUZKHXCM-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.63
Rot. Bonds4

About 2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide

2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 91913728) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
PubChem CID91913728
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
SMILESCc1nc(N2CCCCC2)n(CC(=O)Nc2cccc(F)c2)c(=O)c1C
InChIInChI=1S/C19H23FN4O2/c1-13-14(2)21-19(23-9-4-3-5-10-23)24(18(13)26)12-17(25)22-16-8-6-7-15(20)11-16/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,22,25)
InChIKeyVWVBYRMUZKHXCM-UHFFFAOYSA-N
XLogP2.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide (CID 91913728) is 2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide is Cc1nc(N2CCCCC2)n(CC(=O)Nc2cccc(F)c2)c(=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is VWVBYRMUZKHXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-13-14(2)21-19(23-9-4-3-5-10-23)24(18(13)26)12-17(25)22-16-8-6-7-15(20)11-16/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of 2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide?
2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 91913728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).