2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide

C18H20BrFN4O3 — CID 86887522

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide
SMILESCN(C(=O)Cn1cc(Br)c(=O)[nH]c1=O)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20BrFN4O3/c1-22(16(25)11-24-10-15(19)17(26)21-18(24)27)13-6-8-23(9-7-13)14-4-2-12(20)3-5-14/h2-5,10,13H,6-9,11H2,1H3,(H,21,26,27)
InChIKeyOPWXKUOOVOVPSA-UHFFFAOYSA-N
MW439.29 g/mol
LogP1.57
Rot. Bonds4

About 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 86887522) has the molecular formula C18H20BrFN4O3 and a molecular weight of 439.29 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide
PubChem CID86887522
Molecular FormulaC18H20BrFN4O3
Molecular Weight439.29 g/mol
Exact Mass438.07
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide
SMILESCN(C(=O)Cn1cc(Br)c(=O)[nH]c1=O)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20BrFN4O3/c1-22(16(25)11-24-10-15(19)17(26)21-18(24)27)13-6-8-23(9-7-13)14-4-2-12(20)3-5-14/h2-5,10,13H,6-9,11H2,1H3,(H,21,26,27)
InChIKeyOPWXKUOOVOVPSA-UHFFFAOYSA-N
XLogP1.57
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
CID 84597050
N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 86887445
(E)-3-(5-bromothiophen-3-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylprop-2-enamide
CID 86960802
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 41438789
2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide
CID 86887457
N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 40789882
1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-bromopyrimidine-2,4-dione
CID 119435455
2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide
CID 86944611
5-bromo-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 63779091
N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide
CID 166309265
N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877655
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride
CID 119619861

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide (CID 86887522) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide is CN(C(=O)Cn1cc(Br)c(=O)[nH]c1=O)C1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is OPWXKUOOVOVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN4O3/c1-22(16(25)11-24-10-15(19)17(26)21-18(24)27)13-6-8-23(9-7-13)14-4-2-12(20)3-5-14/h2-5,10,13H,6-9,11H2,1H3,(H,21,26,27).
What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 439.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 86887522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).