[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

C18H19FN2O2 — CID 91919964

IUPAC[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN2O2/c19-16-1-3-17(4-2-16)23-12-8-14-7-11-21(13-14)18(22)15-5-9-20-10-6-15/h1-6,9-10,14H,7-8,11-13H2
InChIKeyQFRGNDGQKBYBBT-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.15
Rot. Bonds5

About [3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 91919964) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is [3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID91919964
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN2O2/c19-16-1-3-17(4-2-16)23-12-8-14-7-11-21(13-14)18(22)15-5-9-20-10-6-15/h1-6,9-10,14H,7-8,11-13H2
InChIKeyQFRGNDGQKBYBBT-UHFFFAOYSA-N
XLogP3.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110411687
1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 53327464
3-(4-fluorophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370418
2-(4-fluorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]ethanone
CID 110102862
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one
CID 53150958
(4-butoxyphenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63395660
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 91919964) is [3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(CCOc2ccc(F)cc2)C1.
What is the InChIKey of [3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is QFRGNDGQKBYBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-16-1-3-17(4-2-16)23-12-8-14-7-11-21(13-14)18(22)15-5-9-20-10-6-15/h1-6,9-10,14H,7-8,11-13H2.
What are the key properties of [3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 314.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 91919964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).