1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone

C18H24FNO3 — CID 125165130

IUPAC1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone
SMILESO=C(C[C@H]1CCCOC1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C18H24FNO3/c19-15-4-1-5-17(12-15)23-16-6-8-20(9-7-16)18(21)11-14-3-2-10-22-13-14/h1,4-5,12,14,16H,2-3,6-11,13H2/t14-/m1/s1
InChIKeyBIMNBINEWSNWAO-CQSZACIVSA-N
MW321.39 g/mol
LogP3.01
Rot. Bonds4

About 1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone

1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone (PubChem CID 125165130) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is 1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone
PubChem CID125165130
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone
SMILESO=C(C[C@H]1CCCOC1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C18H24FNO3/c19-15-4-1-5-17(12-15)23-16-6-8-20(9-7-16)18(21)11-14-3-2-10-22-13-14/h1,4-5,12,14,16H,2-3,6-11,13H2/t14-/m1/s1
InChIKeyBIMNBINEWSNWAO-CQSZACIVSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 110853314
(5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 51592543
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-[(3S)-morpholin-3-yl]ethanone
CID 96581347
1-morpholin-4-yl-2-(oxan-3-yl)ethanone
CID 110849361
4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine
CID 131899608
N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
CID 110862725
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
(3R)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 42404182
2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
CID 134230783
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 110854402
3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 100748397

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone?
The IUPAC name of 1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone (CID 125165130) is 1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone.
What is the SMILES notation for 1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone?
The canonical SMILES for 1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone is O=C(C[C@H]1CCCOC1)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone?
The InChIKey is BIMNBINEWSNWAO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24FNO3/c19-15-4-1-5-17(12-15)23-16-6-8-20(9-7-16)18(21)11-14-3-2-10-22-13-14/h1,4-5,12,14,16H,2-3,6-11,13H2/t14-/m1/s1.
What are the key properties of 1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone?
1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone has a molecular weight of 321.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone is sourced from PubChem (CID 125165130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).