2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide

C18H22ClN5O3 — CID 39915571

IUPAC2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide
SMILESCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H22ClN5O3/c1-22-16(20)15(23-9-3-2-4-10-23)17(26)24(18(22)27)11-14(25)21-13-7-5-12(19)6-8-13/h5-8H,2-4,9-11,20H2,1H3,(H,21,25)
InChIKeyVDZGAMAUQSNRGT-UHFFFAOYSA-N
MW391.86 g/mol
LogP1.41
Rot. Bonds4

About 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide

2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide (PubChem CID 39915571) has the molecular formula C18H22ClN5O3 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide
PubChem CID39915571
Molecular FormulaC18H22ClN5O3
Molecular Weight391.86 g/mol
Exact Mass391.14
IUPAC Name2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide
SMILESCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H22ClN5O3/c1-22-16(20)15(23-9-3-2-4-10-23)17(26)24(18(22)27)11-14(25)21-13-7-5-12(19)6-8-13/h5-8H,2-4,9-11,20H2,1H3,(H,21,25)
InChIKeyVDZGAMAUQSNRGT-UHFFFAOYSA-N
XLogP1.41
TPSA102.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 39915561
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 2124224
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 39915555
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201688
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9355178
2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4843872
N-(4-chlorophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795047
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 25465766
N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide
CID 22425705
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide
CID 104601172
N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190167

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide (CID 39915571) is 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide is Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide?
The InChIKey is VDZGAMAUQSNRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3/c1-22-16(20)15(23-9-3-2-4-10-23)17(26)24(18(22)27)11-14(25)21-13-7-5-12(19)6-8-13/h5-8H,2-4,9-11,20H2,1H3,(H,21,25).
What are the key properties of 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide?
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide has a molecular weight of 391.86 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 39915571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).