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

C21H24FNO4 — CID 59326719

IUPAC2-[6-fluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
SMILESCC(C)C(=O)N1CCC(Oc2cc(CC(=O)O)cc3ccc(F)cc23)CC1
InChIInChI=1S/C21H24FNO4/c1-13(2)21(26)23-7-5-17(6-8-23)27-19-10-14(11-20(24)25)9-15-3-4-16(22)12-18(15)19/h3-4,9-10,12-13,17H,5-8,11H2,1-2H3,(H,24,25)
InChIKeyWNOJTCMXBYHPPS-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.63
Rot. Bonds5

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

2-[6-fluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid (PubChem CID 59326719) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[6-fluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
PubChem CID59326719
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name2-[6-fluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
SMILESCC(C)C(=O)N1CCC(Oc2cc(CC(=O)O)cc3ccc(F)cc23)CC1
InChIInChI=1S/C21H24FNO4/c1-13(2)21(26)23-7-5-17(6-8-23)27-19-10-14(11-20(24)25)9-15-3-4-16(22)12-18(15)19/h3-4,9-10,12-13,17H,5-8,11H2,1-2H3,(H,24,25)
InChIKeyWNOJTCMXBYHPPS-UHFFFAOYSA-N
XLogP3.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.63
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-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid (CID 59326719) is 2-[6-fluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid is CC(C)C(=O)N1CCC(Oc2cc(CC(=O)O)cc3ccc(F)cc23)CC1.
What is the InChIKey of 2-[6-fluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
The InChIKey is WNOJTCMXBYHPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-13(2)21(26)23-7-5-17(6-8-23)27-19-10-14(11-20(24)25)9-15-3-4-16(22)12-18(15)19/h3-4,9-10,12-13,17H,5-8,11H2,1-2H3,(H,24,25).
What are the key properties of 2-[6-fluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
2-[6-fluoro-4-[1-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid has a molecular weight of 373.42 g/mol, XLogP of 3.63, 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-(2-methylpropanoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid is sourced from PubChem (CID 59326719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).