2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C22H26FN3O4 — CID 54698982

IUPAC2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)cc(OCCN3CCCCC3)n2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)15-25-10-11-26-19(14-18(27)21(28)20(26)22(25)29)30-13-12-24-8-2-1-3-9-24/h4-7,14,28H,1-3,8-13,15H2
InChIKeyUBMXDIGZJIBWEX-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.21
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54698982) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54698982
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)cc(OCCN3CCCCC3)n2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)15-25-10-11-26-19(14-18(27)21(28)20(26)22(25)29)30-13-12-24-8-2-1-3-9-24/h4-7,14,28H,1-3,8-13,15H2
InChIKeyUBMXDIGZJIBWEX-UHFFFAOYSA-N
XLogP2.21
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54698982) is 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is O=C1c2c(O)c(=O)cc(OCCN3CCCCC3)n2CCN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is UBMXDIGZJIBWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)15-25-10-11-26-19(14-18(27)21(28)20(26)22(25)29)30-13-12-24-8-2-1-3-9-24/h4-7,14,28H,1-3,8-13,15H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 415.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-piperidin-1-ylethoxy)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54698982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).