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

C20H23FN2O4 — CID 59326714

IUPAC2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid
SMILESCCNC(=O)N1CCC(Oc2cc(CC(=O)O)cc3ccc(F)cc23)CC1
InChIInChI=1S/C20H23FN2O4/c1-2-22-20(26)23-7-5-16(6-8-23)27-18-10-13(11-19(24)25)9-14-3-4-15(21)12-17(14)18/h3-4,9-10,12,16H,2,5-8,11H2,1H3,(H,22,26)(H,24,25)
InChIKeyLCQYMHNTNLPVKD-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.18
Rot. Bonds5

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

2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid (PubChem CID 59326714) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid
PubChem CID59326714
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid
SMILESCCNC(=O)N1CCC(Oc2cc(CC(=O)O)cc3ccc(F)cc23)CC1
InChIInChI=1S/C20H23FN2O4/c1-2-22-20(26)23-7-5-16(6-8-23)27-18-10-13(11-19(24)25)9-14-3-4-15(21)12-17(14)18/h3-4,9-10,12,16H,2,5-8,11H2,1H3,(H,22,26)(H,24,25)
InChIKeyLCQYMHNTNLPVKD-UHFFFAOYSA-N
XLogP3.18
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.18
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-[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-methylbutoxycarbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89648567
2-[4-ethoxy-3-[5-fluoro-2-(propylcarbamoyl)-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89648672
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-(propylcarbamoyl)-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89648918
2-[4-[2-[(2-chlorophenyl)methylcarbamoyl]-5-fluoro-3,4-dihydro-1H-isoquinolin-8-yl]-3-ethoxyphenyl]acetic acid
CID 89649005
2-[4-(5-fluoro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl)-3-propan-2-yloxyphenyl]acetic acid
CID 89649011
2-[3-ethoxy-4-[5-fluoro-2-(2-phenylethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89649029
2-[4-ethoxy-3-[5-fluoro-2-(2-phenylethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89649031
2-[3-ethoxy-4-(5-fluoro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl)phenyl]acetic acid
CID 89649521

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid (CID 59326714) is 2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid is CCNC(=O)N1CCC(Oc2cc(CC(=O)O)cc3ccc(F)cc23)CC1.
What is the InChIKey of 2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid?
The InChIKey is LCQYMHNTNLPVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-2-22-20(26)23-7-5-16(6-8-23)27-18-10-13(11-19(24)25)9-14-3-4-15(21)12-17(14)18/h3-4,9-10,12,16H,2,5-8,11H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid?
2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid has a molecular weight of 374.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid is sourced from PubChem (CID 59326714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).