2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid

C24H22F2N2O4 — CID 46205206

IUPAC2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
SMILESO=C(O)Cc1cc(OC2CCN(C(=O)Nc3cccc(F)c3)CC2)c2cc(F)ccc2c1
InChIInChI=1S/C24H22F2N2O4/c25-17-2-1-3-19(13-17)27-24(31)28-8-6-20(7-9-28)32-22-11-15(12-23(29)30)10-16-4-5-18(26)14-21(16)22/h1-5,10-11,13-14,20H,6-9,12H2,(H,27,31)(H,29,30)
InChIKeyPGHJMRGOCQQTMZ-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.82
Rot. Bonds5

About 2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid

2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid (PubChem CID 46205206) has the molecular formula C24H22F2N2O4 and a molecular weight of 440.45 g/mol. Its IUPAC name is 2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
PubChem CID46205206
Molecular FormulaC24H22F2N2O4
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Name2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
SMILESO=C(O)Cc1cc(OC2CCN(C(=O)Nc3cccc(F)c3)CC2)c2cc(F)ccc2c1
InChIInChI=1S/C24H22F2N2O4/c25-17-2-1-3-19(13-17)27-24(31)28-8-6-20(7-9-28)32-22-11-15(12-23(29)30)10-16-4-5-18(26)14-21(16)22/h1-5,10-11,13-14,20H,6-9,12H2,(H,27,31)(H,29,30)
InChIKeyPGHJMRGOCQQTMZ-UHFFFAOYSA-N
XLogP4.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-ethoxy-4-[5-fluoro-2-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89648250
2-[3-ethoxy-4-[5-fluoro-2-[(4-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89648705
2-[4-[2-(benzylcarbamoyl)-5-fluoro-3,4-dihydro-1H-isoquinolin-8-yl]-3-ethoxyphenyl]acetic acid
CID 89648830
2-[3-ethoxy-4-[5-fluoro-2-(2-phenylethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89649029
2-[3-ethoxy-4-[5-fluoro-2-[(2-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89649552
2-[3-ethoxy-4-[5-fluoro-2-[(2-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89649561
3-[4-[3-[Heptylcarbamoyl(methyl)amino]phenyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid
CID 11685589
2-[6-Fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
CID 46205207
4-[3-[6-[3,5-Bis(3-fluorophenyl)anilino]hexyl]-2-(2-carboxyethyl)phenoxy]butanoic acid
CID 57586488
2-[4-[1-(Ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid
CID 59326714
2-[6-Fluoro-4-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
CID 59326718
2-[6-Fluoro-4-[1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
CID 59326757

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid (CID 46205206) is 2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid is O=C(O)Cc1cc(OC2CCN(C(=O)Nc3cccc(F)c3)CC2)c2cc(F)ccc2c1.
What is the InChIKey of 2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
The InChIKey is PGHJMRGOCQQTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4/c25-17-2-1-3-19(13-17)27-24(31)28-8-6-20(7-9-28)32-22-11-15(12-23(29)30)10-16-4-5-18(26)14-21(16)22/h1-5,10-11,13-14,20H,6-9,12H2,(H,27,31)(H,29,30).
What are the key properties of 2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid has a molecular weight of 440.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-4-[1-[(3-fluorophenyl)carbamoyl]piperidin-4-yl]oxynaphthalen-2-yl]acetic acid is sourced from PubChem (CID 46205206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).