2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid

C19H20FNO4 — CID 59326739

IUPAC2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid
SMILESCC(=O)N1CCC(Oc2cc(CC(=O)O)cc3ccc(F)cc23)CC1
InChIInChI=1S/C19H20FNO4/c1-12(22)21-6-4-16(5-7-21)25-18-9-13(10-19(23)24)8-14-2-3-15(20)11-17(14)18/h2-3,8-9,11,16H,4-7,10H2,1H3,(H,23,24)
InChIKeyAOZLREKZCFNXLF-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.00
Rot. Bonds4

About 2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid

2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid (PubChem CID 59326739) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid
PubChem CID59326739
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid
SMILESCC(=O)N1CCC(Oc2cc(CC(=O)O)cc3ccc(F)cc23)CC1
InChIInChI=1S/C19H20FNO4/c1-12(22)21-6-4-16(5-7-21)25-18-9-13(10-19(23)24)8-14-2-3-15(20)11-17(14)18/h2-3,8-9,11,16H,4-7,10H2,1H3,(H,23,24)
InChIKeyAOZLREKZCFNXLF-UHFFFAOYSA-N
XLogP3.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid (CID 59326739) is 2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid is CC(=O)N1CCC(Oc2cc(CC(=O)O)cc3ccc(F)cc23)CC1.
What is the InChIKey of 2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid?
The InChIKey is AOZLREKZCFNXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-12(22)21-6-4-16(5-7-21)25-18-9-13(10-19(23)24)8-14-2-3-15(20)11-17(14)18/h2-3,8-9,11,16H,4-7,10H2,1H3,(H,23,24).
What are the key properties of 2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid?
2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid has a molecular weight of 345.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-acetylpiperidin-4-yl)oxy-6-fluoronaphthalen-2-yl]acetic acid is sourced from PubChem (CID 59326739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).