5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid

C25H23FN2O6 — CID 59862382

IUPAC5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)cn1
InChIInChI=1S/C25H23FN2O6/c26-18-3-1-2-17(14-18)16-32-19-4-6-20(7-5-19)33-21-10-12-28(13-11-21)25(31)34-22-8-9-23(24(29)30)27-15-22/h1-9,14-15,21H,10-13,16H2,(H,29,30)
InChIKeyPBGMEQOUFVEVDU-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.54
Rot. Bonds7

About 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid

5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid (PubChem CID 59862382) has the molecular formula C25H23FN2O6 and a molecular weight of 466.47 g/mol. Its IUPAC name is 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid
PubChem CID59862382
Molecular FormulaC25H23FN2O6
Molecular Weight466.47 g/mol
Exact Mass466.15
IUPAC Name5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)cn1
InChIInChI=1S/C25H23FN2O6/c26-18-3-1-2-17(14-18)16-32-19-4-6-20(7-5-19)33-21-10-12-28(13-11-21)25(31)34-22-8-9-23(24(29)30)27-15-22/h1-9,14-15,21H,10-13,16H2,(H,29,30)
InChIKeyPBGMEQOUFVEVDU-UHFFFAOYSA-N
XLogP4.54
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid?
The IUPAC name of 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid (CID 59862382) is 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid is O=C(O)c1ccc(OC(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)cn1.
What is the InChIKey of 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid?
The InChIKey is PBGMEQOUFVEVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O6/c26-18-3-1-2-17(14-18)16-32-19-4-6-20(7-5-19)33-21-10-12-28(13-11-21)25(31)34-22-8-9-23(24(29)30)27-15-22/h1-9,14-15,21H,10-13,16H2,(H,29,30).
What are the key properties of 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid?
5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid has a molecular weight of 466.47 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidine-1-carbonyl]oxypyridine-2-carboxylic acid is sourced from PubChem (CID 59862382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).