2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C23H28N4O3 — CID 9259386

IUPAC2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(OCCN2CCN(Cc3cc(=O)n4c(C)cccc4n3)CC2)cc1
InChIInChI=1S/C23H28N4O3/c1-18-4-3-5-22-24-19(16-23(28)27(18)22)17-26-12-10-25(11-13-26)14-15-30-21-8-6-20(29-2)7-9-21/h3-9,16H,10-15,17H2,1-2H3
InChIKeyTYSPBPZIUANPBO-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.21
Rot. Bonds7

About 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 9259386) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID9259386
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(OCCN2CCN(Cc3cc(=O)n4c(C)cccc4n3)CC2)cc1
InChIInChI=1S/C23H28N4O3/c1-18-4-3-5-22-24-19(16-23(28)27(18)22)17-26-12-10-25(11-13-26)14-15-30-21-8-6-20(29-2)7-9-21/h3-9,16H,10-15,17H2,1-2H3
InChIKeyTYSPBPZIUANPBO-UHFFFAOYSA-N
XLogP2.21
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8720923
2-(4-bromophenoxy)ethyl-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8675842
2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55564882
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9254707
1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea
CID 167829459
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42949475
11-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163087170
2-[[(3aR,6R,7aS)-3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 118778448

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 9259386) is 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(OCCN2CCN(Cc3cc(=O)n4c(C)cccc4n3)CC2)cc1.
What is the InChIKey of 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is TYSPBPZIUANPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-18-4-3-5-22-24-19(16-23(28)27(18)22)17-26-12-10-25(11-13-26)14-15-30-21-8-6-20(29-2)7-9-21/h3-9,16H,10-15,17H2,1-2H3.
What are the key properties of 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 408.50 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9259386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).