5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid

C26H25FN2O5 — CID 58347523

IUPAC5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(CC(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)c1
InChIInChI=1S/C26H25FN2O5/c27-21-3-1-2-18(13-21)17-33-22-4-6-23(7-5-22)34-24-8-10-29(11-9-24)25(30)14-19-12-20(26(31)32)16-28-15-19/h1-7,12-13,15-16,24H,8-11,14,17H2,(H,31,32)
InChIKeyOBXIIZQSNVDWTM-UHFFFAOYSA-N
MW464.49 g/mol
LogP4.11
Rot. Bonds8

About 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid

5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid (PubChem CID 58347523) has the molecular formula C26H25FN2O5 and a molecular weight of 464.49 g/mol. Its IUPAC name is 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid
PubChem CID58347523
Molecular FormulaC26H25FN2O5
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC Name5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(CC(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)c1
InChIInChI=1S/C26H25FN2O5/c27-21-3-1-2-18(13-21)17-33-22-4-6-23(7-5-22)34-24-8-10-29(11-9-24)25(30)14-19-12-20(26(31)32)16-28-15-19/h1-7,12-13,15-16,24H,8-11,14,17H2,(H,31,32)
InChIKeyOBXIIZQSNVDWTM-UHFFFAOYSA-N
XLogP4.11
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 58347781
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863
1-[4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-1-yl]-2-pyridin-3-ylethanone;oxalic acid
CID 123138681
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
5-[(4-fluorophenoxy)methyl]pyridine-3-carboxylic acid
CID 117212713
2-[2-oxo-2-[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]ethyl]benzoic acid
CID 58347900
1-[4-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58348017
1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 139023328
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464
2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151002
2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
CID 91907818
3-[[3-[4-(2-pyridin-3-ylacetyl)piperazine-1-carbonyl]phenoxy]methyl]benzoic acid
CID 58347609

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid (CID 58347523) is 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid is O=C(O)c1cncc(CC(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)c1.
What is the InChIKey of 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid?
The InChIKey is OBXIIZQSNVDWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O5/c27-21-3-1-2-18(13-21)17-33-22-4-6-23(7-5-22)34-24-8-10-29(11-9-24)25(30)14-19-12-20(26(31)32)16-28-15-19/h1-7,12-13,15-16,24H,8-11,14,17H2,(H,31,32).
What are the key properties of 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid?
5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid has a molecular weight of 464.49 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58347523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).