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

C22H20FN3O4 — CID 42227290

IUPAC5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one
SMILESO=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H20FN3O4/c23-17-6-4-16(5-7-17)14-29-20-15-30-19(13-18(20)27)22(28)26-11-9-25(10-12-26)21-3-1-2-8-24-21/h1-8,13,15H,9-12,14H2
InChIKeyYLTNNMYWQGNYLP-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.72
Rot. Bonds5

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

5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one (PubChem CID 42227290) has the molecular formula C22H20FN3O4 and a molecular weight of 409.42 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one
PubChem CID42227290
Molecular FormulaC22H20FN3O4
Molecular Weight409.42 g/mol
Exact Mass409.14
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one
SMILESO=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H20FN3O4/c23-17-6-4-16(5-7-17)14-29-20-15-30-19(13-18(20)27)22(28)26-11-9-25(10-12-26)21-3-1-2-8-24-21/h1-8,13,15H,9-12,14H2
InChIKeyYLTNNMYWQGNYLP-UHFFFAOYSA-N
XLogP2.72
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one (CID 42227290) is 5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one is O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one?
The InChIKey is YLTNNMYWQGNYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4/c23-17-6-4-16(5-7-17)14-29-20-15-30-19(13-18(20)27)22(28)26-11-9-25(10-12-26)21-3-1-2-8-24-21/h1-8,13,15H,9-12,14H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one?
5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one has a molecular weight of 409.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyran-4-one is sourced from PubChem (CID 42227290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).