6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile

C19H18FN3O3 — CID 71799094

IUPAC6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCN(C(=O)COc3ccccc3F)CC2)nc1
InChIInChI=1S/C19H18FN3O3/c20-16-3-1-2-4-17(16)25-13-19(24)23-9-7-15(8-10-23)26-18-6-5-14(11-21)12-22-18/h1-6,12,15H,7-10,13H2
InChIKeyCPQODMRYTJRRMG-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.54
Rot. Bonds5

About 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile

6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71799094) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71799094
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCN(C(=O)COc3ccccc3F)CC2)nc1
InChIInChI=1S/C19H18FN3O3/c20-16-3-1-2-4-17(16)25-13-19(24)23-9-7-15(8-10-23)26-18-6-5-14(11-21)12-22-18/h1-6,12,15H,7-10,13H2
InChIKeyCPQODMRYTJRRMG-UHFFFAOYSA-N
XLogP2.54
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799106
2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163060
6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71063615
6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799107
2-(2-fluorophenoxy)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637391
6-(2-fluorophenoxy)pyridine-3-carbonitrile
CID 24698553
6-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 67530014
6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248677
1-(4-cyclopropylpiperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110708570
2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90559928
4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 71799121
2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
CID 30124902

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile (CID 71799094) is 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CCN(C(=O)COc3ccccc3F)CC2)nc1.
What is the InChIKey of 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is CPQODMRYTJRRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-16-3-1-2-4-17(16)25-13-19(24)23-9-7-15(8-10-23)26-18-6-5-14(11-21)12-22-18/h1-6,12,15H,7-10,13H2.
What are the key properties of 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 355.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71799094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).