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

C23H26N4O3 — CID 42949475

IUPAC2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1ccccc1OCCN1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C23H26N4O3/c1-18(28)20-6-2-3-7-21(20)30-15-14-25-10-12-26(13-11-25)17-19-16-23(29)27-9-5-4-8-22(27)24-19/h2-9,16H,10-15,17H2,1H3
InChIKeyURFLQKRWYZNBLX-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.09
Rot. Bonds7

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

2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42949475) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42949475
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1ccccc1OCCN1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C23H26N4O3/c1-18(28)20-6-2-3-7-21(20)30-15-14-25-10-12-26(13-11-25)17-19-16-23(29)27-9-5-4-8-22(27)24-19/h2-9,16H,10-15,17H2,1H3
InChIKeyURFLQKRWYZNBLX-UHFFFAOYSA-N
XLogP2.09
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 42949475) is 2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is CC(=O)c1ccccc1OCCN1CCN(Cc2cc(=O)n3ccccc3n2)CC1.
What is the InChIKey of 2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is URFLQKRWYZNBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-18(28)20-6-2-3-7-21(20)30-15-14-25-10-12-26(13-11-25)17-19-16-23(29)27-9-5-4-8-22(27)24-19/h2-9,16H,10-15,17H2,1H3.
What are the key properties of 2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 406.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42949475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).