2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone

C19H21FN2O3 — CID 97147487

IUPAC2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESO=C(COc1cccc(F)c1)N1CCC[C@H](OCc2cccnc2)C1
InChIInChI=1S/C19H21FN2O3/c20-16-5-1-6-17(10-16)25-14-19(23)22-9-3-7-18(12-22)24-13-15-4-2-8-21-11-15/h1-2,4-6,8,10-11,18H,3,7,9,12-14H2/t18-/m0/s1
InChIKeyTVTPPTRTDCHTAR-SFHVURJKSA-N
MW344.39 g/mol
LogP2.81
Rot. Bonds6

About 2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone

2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 97147487) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID97147487
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESO=C(COc1cccc(F)c1)N1CCC[C@H](OCc2cccnc2)C1
InChIInChI=1S/C19H21FN2O3/c20-16-5-1-6-17(10-16)25-14-19(23)22-9-3-7-18(12-22)24-13-15-4-2-8-21-11-15/h1-2,4-6,8,10-11,18H,3,7,9,12-14H2/t18-/m0/s1
InChIKeyTVTPPTRTDCHTAR-SFHVURJKSA-N
XLogP2.81
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-1-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42844150
1-(4-fluorophenyl)-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]butane-1,4-dione
CID 70722359
2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 70786365
2-phenylsulfanyl-1-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580928
2-phenylsulfanyl-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580927
2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 86286203
3-ethylsulfanyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 91775544
3-(4-methylpiperazin-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 90648429
1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70786893
(6-methoxy-2,3-dihydro-1H-inden-5-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70721344
3-(2-methylimidazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70709835
1-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70770060

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone (CID 97147487) is 2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone is O=C(COc1cccc(F)c1)N1CCC[C@H](OCc2cccnc2)C1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is TVTPPTRTDCHTAR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-16-5-1-6-17(10-16)25-14-19(23)22-9-3-7-18(12-22)24-13-15-4-2-8-21-11-15/h1-2,4-6,8,10-11,18H,3,7,9,12-14H2/t18-/m0/s1.
What are the key properties of 2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 344.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 97147487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).