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

C16H15FN2O3 — CID 662181

IUPAC5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one
SMILESO=C(c1ccc(=O)oc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H15FN2O3/c17-13-2-4-14(5-3-13)18-7-9-19(10-8-18)16(21)12-1-6-15(20)22-11-12/h1-6,11H,7-10H2
InChIKeyKOUZVWLHVCNUMI-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.74
Rot. Bonds2

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

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one (PubChem CID 662181) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one
PubChem CID662181
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one
SMILESO=C(c1ccc(=O)oc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H15FN2O3/c17-13-2-4-14(5-3-13)18-7-9-19(10-8-18)16(21)12-1-6-15(20)22-11-12/h1-6,11H,7-10H2
InChIKeyKOUZVWLHVCNUMI-UHFFFAOYSA-N
XLogP1.74
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one (CID 662181) is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one is O=C(c1ccc(=O)oc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one?
The InChIKey is KOUZVWLHVCNUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-13-2-4-14(5-3-13)18-7-9-19(10-8-18)16(21)12-1-6-15(20)22-11-12/h1-6,11H,7-10H2.
What are the key properties of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one?
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one has a molecular weight of 302.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 662181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).