2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid

C20H22FNO4 — CID 59326721

IUPAC2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid
SMILESCCC(=O)N1CCC(Oc2cc(CC(=O)O)cc3ccc(F)cc23)CC1
InChIInChI=1S/C20H22FNO4/c1-2-19(23)22-7-5-16(6-8-22)26-18-10-13(11-20(24)25)9-14-3-4-15(21)12-17(14)18/h3-4,9-10,12,16H,2,5-8,11H2,1H3,(H,24,25)
InChIKeyFWNFCGPJAIBWEV-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.39
Rot. Bonds5

About 2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid

2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid (PubChem CID 59326721) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid
PubChem CID59326721
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid
SMILESCCC(=O)N1CCC(Oc2cc(CC(=O)O)cc3ccc(F)cc23)CC1
InChIInChI=1S/C20H22FNO4/c1-2-19(23)22-7-5-16(6-8-22)26-18-10-13(11-20(24)25)9-14-3-4-15(21)12-17(14)18/h3-4,9-10,12,16H,2,5-8,11H2,1H3,(H,24,25)
InChIKeyFWNFCGPJAIBWEV-UHFFFAOYSA-N
XLogP3.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid (CID 59326721) is 2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid is CCC(=O)N1CCC(Oc2cc(CC(=O)O)cc3ccc(F)cc23)CC1.
What is the InChIKey of 2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid?
The InChIKey is FWNFCGPJAIBWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-2-19(23)22-7-5-16(6-8-22)26-18-10-13(11-20(24)25)9-14-3-4-15(21)12-17(14)18/h3-4,9-10,12,16H,2,5-8,11H2,1H3,(H,24,25).
What are the key properties of 2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid?
2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid has a molecular weight of 359.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-4-(1-propanoylpiperidin-4-yl)oxynaphthalen-2-yl]acetic acid is sourced from PubChem (CID 59326721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).