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

C18H21FN4O2 — CID 53201682

IUPACN-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccccc2F)c(N2CCCCC2)n1
InChIInChI=1S/C18H21FN4O2/c1-13-11-17(25)23(18(20-13)22-9-5-2-6-10-22)12-16(24)21-15-8-4-3-7-14(15)19/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,21,24)
InChIKeyXMMAKPNBZYUDJQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.32
Rot. Bonds4

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

N-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide (PubChem CID 53201682) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
PubChem CID53201682
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccccc2F)c(N2CCCCC2)n1
InChIInChI=1S/C18H21FN4O2/c1-13-11-17(25)23(18(20-13)22-9-5-2-6-10-22)12-16(24)21-15-8-4-3-7-14(15)19/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,21,24)
InChIKeyXMMAKPNBZYUDJQ-UHFFFAOYSA-N
XLogP2.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide (CID 53201682) is N-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)Nc2ccccc2F)c(N2CCCCC2)n1.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The InChIKey is XMMAKPNBZYUDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-11-17(25)23(18(20-13)22-9-5-2-6-10-22)12-16(24)21-15-8-4-3-7-14(15)19/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,21,24).
What are the key properties of N-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
N-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 53201682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).