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

C26H27FN2O4 — CID 46205207

IUPAC2-[6-fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
SMILESO=C(O)Cc1cc(OC2CCN(C(=O)NCCc3ccccc3)CC2)c2cc(F)ccc2c1
InChIInChI=1S/C26H27FN2O4/c27-21-7-6-20-14-19(16-25(30)31)15-24(23(20)17-21)33-22-9-12-29(13-10-22)26(32)28-11-8-18-4-2-1-3-5-18/h1-7,14-15,17,22H,8-13,16H2,(H,28,32)(H,30,31)
InChIKeyCZYPTDRJEIRJRZ-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.40
Rot. Bonds7

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

2-[6-fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid (PubChem CID 46205207) has the molecular formula C26H27FN2O4 and a molecular weight of 450.51 g/mol. Its IUPAC name is 2-[6-fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
PubChem CID46205207
Molecular FormulaC26H27FN2O4
Molecular Weight450.51 g/mol
Exact Mass450.20
IUPAC Name2-[6-fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
SMILESO=C(O)Cc1cc(OC2CCN(C(=O)NCCc3ccccc3)CC2)c2cc(F)ccc2c1
InChIInChI=1S/C26H27FN2O4/c27-21-7-6-20-14-19(16-25(30)31)15-24(23(20)17-21)33-22-9-12-29(13-10-22)26(32)28-11-8-18-4-2-1-3-5-18/h1-7,14-15,17,22H,8-13,16H2,(H,28,32)(H,30,31)
InChIKeyCZYPTDRJEIRJRZ-UHFFFAOYSA-N
XLogP4.40
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

RG 14893
CID 132379
4-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-8-pentoxynaphthalene-2-carboxylic acid
CID 10741453
2-[4-[2-[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]-5-fluoro-3,4-dihydro-1H-isoquinolin-8-yl]-3-ethoxyphenyl]acetic acid
CID 89648445
2-[3-ethoxy-4-[5-fluoro-2-[(3R)-3-phenylbutanoyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89648592
2-[4-[5-fluoro-2-[3-(4-fluorophenoxy)propanoyl]-3,4-dihydro-1H-isoquinolin-8-yl]-3-methoxyphenyl]acetic acid
CID 89649006
3-[4-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]propanoic acid
CID 10648458
2-[3-ethoxy-4-[5-fluoro-2-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89648250
2-[4-[2-[(2,5-difluorophenyl)methoxycarbonyl]-5-fluoro-3,4-dihydro-1H-isoquinolin-8-yl]-3-ethoxyphenyl]acetic acid
CID 89648264
2-[3-ethoxy-4-[5-fluoro-2-[3-(4-fluorophenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89648299
2-[4-ethoxy-3-[5-fluoro-2-[(2-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89648531
2-[3-ethoxy-4-[5-fluoro-2-[(3-fluorophenyl)methoxycarbonyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89648573
2-[3-ethoxy-4-[5-fluoro-2-[(4-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89648705

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid (CID 46205207) is 2-[6-fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid is O=C(O)Cc1cc(OC2CCN(C(=O)NCCc3ccccc3)CC2)c2cc(F)ccc2c1.
What is the InChIKey of 2-[6-fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
The InChIKey is CZYPTDRJEIRJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O4/c27-21-7-6-20-14-19(16-25(30)31)15-24(23(20)17-21)33-22-9-12-29(13-10-22)26(32)28-11-8-18-4-2-1-3-5-18/h1-7,14-15,17,22H,8-13,16H2,(H,28,32)(H,30,31).
What are the key properties of 2-[6-fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
2-[6-fluoro-4-[1-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid has a molecular weight of 450.51 g/mol, XLogP of 4.40, 7 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-(2-phenylethylcarbamoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid is sourced from PubChem (CID 46205207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).