4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one

C18H18FNO4 — CID 90628947

IUPAC4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
SMILESCc1cc(OC2CCN(C(=O)c3ccccc3F)CC2)cc(=O)o1
InChIInChI=1S/C18H18FNO4/c1-12-10-14(11-17(21)23-12)24-13-6-8-20(9-7-13)18(22)15-4-2-3-5-16(15)19/h2-5,10-11,13H,6-9H2,1H3
InChIKeyOJUJFVSZAXUMII-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.77
Rot. Bonds3

About 4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one

4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one (PubChem CID 90628947) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
PubChem CID90628947
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
SMILESCc1cc(OC2CCN(C(=O)c3ccccc3F)CC2)cc(=O)o1
InChIInChI=1S/C18H18FNO4/c1-12-10-14(11-17(21)23-12)24-13-6-8-20(9-7-13)18(22)15-4-2-3-5-16(15)19/h2-5,10-11,13H,6-9H2,1H3
InChIKeyOJUJFVSZAXUMII-UHFFFAOYSA-N
XLogP2.77
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one?
The IUPAC name of 4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one (CID 90628947) is 4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one.
What is the SMILES notation for 4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one?
The canonical SMILES for 4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one is Cc1cc(OC2CCN(C(=O)c3ccccc3F)CC2)cc(=O)o1.
What is the InChIKey of 4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one?
The InChIKey is OJUJFVSZAXUMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-12-10-14(11-17(21)23-12)24-13-6-8-20(9-7-13)18(22)15-4-2-3-5-16(15)19/h2-5,10-11,13H,6-9H2,1H3.
What are the key properties of 4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one?
4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one has a molecular weight of 331.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one is sourced from PubChem (CID 90628947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).