N-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide

C20H26N4O2 — CID 53201673

IUPACN-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(C)c(C)c2)c(N2CCCCC2)n1
InChIInChI=1S/C20H26N4O2/c1-14-7-8-17(11-15(14)2)22-18(25)13-24-19(26)12-16(3)21-20(24)23-9-5-4-6-10-23/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,22,25)
InChIKeyDMOOWWBZZVKNPB-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.80
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide

N-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide (PubChem CID 53201673) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
PubChem CID53201673
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(C)c(C)c2)c(N2CCCCC2)n1
InChIInChI=1S/C20H26N4O2/c1-14-7-8-17(11-15(14)2)22-18(25)13-24-19(26)12-16(3)21-20(24)23-9-5-4-6-10-23/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,22,25)
InChIKeyDMOOWWBZZVKNPB-UHFFFAOYSA-N
XLogP2.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide (CID 53201673) is N-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc(C)c(C)c2)c(N2CCCCC2)n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The InChIKey is DMOOWWBZZVKNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-7-8-17(11-15(14)2)22-18(25)13-24-19(26)12-16(3)21-20(24)23-9-5-4-6-10-23/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,22,25).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 53201673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).