2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one

C23H27N5O4 — CID 53194675

IUPAC2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one
SMILESCOc1ccc(OCC(=O)N2CCN(c3nc4ccncc4n(C(C)C)c3=O)CC2)cc1
InChIInChI=1S/C23H27N5O4/c1-16(2)28-20-14-24-9-8-19(20)25-22(23(28)30)27-12-10-26(11-13-27)21(29)15-32-18-6-4-17(31-3)5-7-18/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyABDWFAYAWSVCGC-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.11
Rot. Bonds6

About 2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one

2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one (PubChem CID 53194675) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one
PubChem CID53194675
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one
SMILESCOc1ccc(OCC(=O)N2CCN(c3nc4ccncc4n(C(C)C)c3=O)CC2)cc1
InChIInChI=1S/C23H27N5O4/c1-16(2)28-20-14-24-9-8-19(20)25-22(23(28)30)27-12-10-26(11-13-27)21(29)15-32-18-6-4-17(31-3)5-7-18/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyABDWFAYAWSVCGC-UHFFFAOYSA-N
XLogP2.11
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one with MolForge

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Related Compounds

2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194609
2-[4-[2-(3,4-difluorophenoxy)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194614
6-[4-[2-(4-methoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
CID 53107680
2-(4-methoxyphenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 25284816
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53001361
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050601
2-(4-methoxyphenoxy)-1-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344107
4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
CID 53194606
2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194575
4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
CID 53194578
2-(4-methoxyphenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9253973

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one (CID 53194675) is 2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one is COc1ccc(OCC(=O)N2CCN(c3nc4ccncc4n(C(C)C)c3=O)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one?
The InChIKey is ABDWFAYAWSVCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-16(2)28-20-14-24-9-8-19(20)25-22(23(28)30)27-12-10-26(11-13-27)21(29)15-32-18-6-4-17(31-3)5-7-18/h4-9,14,16H,10-13,15H2,1-3H3.
What are the key properties of 2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one?
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one has a molecular weight of 437.50 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 53194675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).