2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C22H26N4O2 — CID 55564882

IUPAC2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CCN2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-28-20-7-5-18(6-8-20)9-11-24-12-14-25(15-13-24)17-19-16-22(27)26-10-3-2-4-21(26)23-19/h2-8,10,16H,9,11-15,17H2,1H3
InChIKeyGFRQHYVXBLJMNB-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.06
Rot. Bonds6

About 2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55564882) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55564882
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CCN2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-28-20-7-5-18(6-8-20)9-11-24-12-14-25(15-13-24)17-19-16-22(27)26-10-3-2-4-21(26)23-19/h2-8,10,16H,9,11-15,17H2,1H3
InChIKeyGFRQHYVXBLJMNB-UHFFFAOYSA-N
XLogP2.06
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17416419
2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42949475
2-[[(3R,3aS,6aR)-3-(4-methoxyphenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 171329567
2-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9259386
2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104975427
2-[[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97253121
2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60673235
2-[(2,2-dimethylmorpholin-4-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 86984153
2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 86850460
2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92853192
2-[[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42949483

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 55564882) is 2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is COc1ccc(CCN2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1.
What is the InChIKey of 2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GFRQHYVXBLJMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-28-20-7-5-18(6-8-20)9-11-24-12-14-25(15-13-24)17-19-16-22(27)26-10-3-2-4-21(26)23-19/h2-8,10,16H,9,11-15,17H2,1H3.
What are the key properties of 2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 378.48 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55564882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).