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

C21H28N4O4 — CID 91904000

IUPACN-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(N3CCCCC3)nc(C)c(C)c2=O)c1
InChIInChI=1S/C21H28N4O4/c1-14-15(2)22-21(24-10-6-5-7-11-24)25(20(14)27)13-19(26)23-17-12-16(28-3)8-9-18(17)29-4/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,23,26)
InChIKeyYTGMMCYVSVTKDL-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.51
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide (PubChem CID 91904000) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
PubChem CID91904000
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(N3CCCCC3)nc(C)c(C)c2=O)c1
InChIInChI=1S/C21H28N4O4/c1-14-15(2)22-21(24-10-6-5-7-11-24)25(20(14)27)13-19(26)23-17-12-16(28-3)8-9-18(17)29-4/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,23,26)
InChIKeyYTGMMCYVSVTKDL-UHFFFAOYSA-N
XLogP2.51
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide
CID 91908717
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17434098
N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 1458003
N-(2,5-dimethoxyphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 4984690
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622579
N-(2,5-dimethoxyphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573662
2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 50833615
N-(2,5-dimethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42469345
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132785417
2-(4-aminopyrazol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 43445334

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide (CID 91904000) is N-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide is COc1ccc(OC)c(NC(=O)Cn2c(N3CCCCC3)nc(C)c(C)c2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
The InChIKey is YTGMMCYVSVTKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-14-15(2)22-21(24-10-6-5-7-11-24)25(20(14)27)13-19(26)23-17-12-16(28-3)8-9-18(17)29-4/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,23,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide has a molecular weight of 400.48 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 91904000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).