2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one

C19H19FN2O5 — CID 45494885

IUPAC2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one
SMILESCC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccccc3F)co2)CC1
InChIInChI=1S/C19H19FN2O5/c1-13(23)21-6-8-22(9-7-21)19(25)17-10-16(24)18(12-27-17)26-11-14-4-2-3-5-15(14)20/h2-5,10,12H,6-9,11H2,1H3
InChIKeyXYIDMSBIYSDTFS-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.66
Rot. Bonds4

About 2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one

2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one (PubChem CID 45494885) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one.

Molecular Properties

Compound Name2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one
PubChem CID45494885
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one
SMILESCC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccccc3F)co2)CC1
InChIInChI=1S/C19H19FN2O5/c1-13(23)21-6-8-22(9-7-21)19(25)17-10-16(24)18(12-27-17)26-11-14-4-2-3-5-15(14)20/h2-5,10,12H,6-9,11H2,1H3
InChIKeyXYIDMSBIYSDTFS-UHFFFAOYSA-N
XLogP1.66
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one?
The IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one (CID 45494885) is 2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one.
What is the SMILES notation for 2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one?
The canonical SMILES for 2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one is CC(=O)N1CCN(C(=O)c2cc(=O)c(OCc3ccccc3F)co2)CC1.
What is the InChIKey of 2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one?
The InChIKey is XYIDMSBIYSDTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-13(23)21-6-8-22(9-7-21)19(25)17-10-16(24)18(12-27-17)26-11-14-4-2-3-5-15(14)20/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one?
2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one has a molecular weight of 374.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methoxy]pyran-4-one is sourced from PubChem (CID 45494885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).