N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide

C21H28N4O4 — CID 91904042

IUPACN-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(N3CCC(C)CC3)nc(C)cc2=O)c1
InChIInChI=1S/C21H28N4O4/c1-14-7-9-24(10-8-14)21-22-15(2)11-20(27)25(21)13-19(26)23-17-12-16(28-3)5-6-18(17)29-4/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,23,26)
InChIKeyZJWMJMCSLPWRBX-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.44
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 91904042) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID91904042
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(N3CCC(C)CC3)nc(C)cc2=O)c1
InChIInChI=1S/C21H28N4O4/c1-14-7-9-24(10-8-14)21-22-15(2)11-20(27)25(21)13-19(26)23-17-12-16(28-3)5-6-18(17)29-4/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,23,26)
InChIKeyZJWMJMCSLPWRBX-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide (CID 91904042) is N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2c(N3CCC(C)CC3)nc(C)cc2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is ZJWMJMCSLPWRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-14-7-9-24(10-8-14)21-22-15(2)11-20(27)25(21)13-19(26)23-17-12-16(28-3)5-6-18(17)29-4/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,23,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 2.44, 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-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 91904042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).