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

C24H21F2NO4 — CID 59326759

IUPAC2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
SMILESO=C(O)Cc1cc(OC2CCN(C(=O)c3ccccc3F)CC2)c2cc(F)ccc2c1
InChIInChI=1S/C24H21F2NO4/c25-17-6-5-16-11-15(13-23(28)29)12-22(20(16)14-17)31-18-7-9-27(10-8-18)24(30)19-3-1-2-4-21(19)26/h1-6,11-12,14,18H,7-10,13H2,(H,28,29)
InChIKeyYXONVJAFGBVMBD-UHFFFAOYSA-N
MW425.43 g/mol
LogP4.43
Rot. Bonds5

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

2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid (PubChem CID 59326759) has the molecular formula C24H21F2NO4 and a molecular weight of 425.43 g/mol. Its IUPAC name is 2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
PubChem CID59326759
Molecular FormulaC24H21F2NO4
Molecular Weight425.43 g/mol
Exact Mass425.14
IUPAC Name2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid
SMILESO=C(O)Cc1cc(OC2CCN(C(=O)c3ccccc3F)CC2)c2cc(F)ccc2c1
InChIInChI=1S/C24H21F2NO4/c25-17-6-5-16-11-15(13-23(28)29)12-22(20(16)14-17)31-18-7-9-27(10-8-18)24(30)19-3-1-2-4-21(19)26/h1-6,11-12,14,18H,7-10,13H2,(H,28,29)
InChIKeyYXONVJAFGBVMBD-UHFFFAOYSA-N
XLogP4.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid
CID 46205202
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 112836609
(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 119944781
(2-anilinophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843416
N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 112843501
[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 112843502
(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836700
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate
CID 86939213
3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid
CID 122019186
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108560102

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid (CID 59326759) is 2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid is O=C(O)Cc1cc(OC2CCN(C(=O)c3ccccc3F)CC2)c2cc(F)ccc2c1.
What is the InChIKey of 2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
The InChIKey is YXONVJAFGBVMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO4/c25-17-6-5-16-11-15(13-23(28)29)12-22(20(16)14-17)31-18-7-9-27(10-8-18)24(30)19-3-1-2-4-21(19)26/h1-6,11-12,14,18H,7-10,13H2,(H,28,29).
What are the key properties of 2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid?
2-[6-fluoro-4-[1-(2-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid has a molecular weight of 425.43 g/mol, XLogP of 4.43, 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-fluorobenzoyl)piperidin-4-yl]oxynaphthalen-2-yl]acetic acid is sourced from PubChem (CID 59326759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).