5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one

C19H23FN2O2S — CID 15985704

IUPAC5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one
SMILESO=c1ccc(SCCN2CCC(O)(Cc3ccc(F)cc3)CC2)c[nH]1
InChIInChI=1S/C19H23FN2O2S/c20-16-3-1-15(2-4-16)13-19(24)7-9-22(10-8-19)11-12-25-17-5-6-18(23)21-14-17/h1-6,14,24H,7-13H2,(H,21,23)
InChIKeyGOIGAVUTTARAAJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.68
Rot. Bonds6

About 5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one

5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one (PubChem CID 15985704) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one
PubChem CID15985704
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one
SMILESO=c1ccc(SCCN2CCC(O)(Cc3ccc(F)cc3)CC2)c[nH]1
InChIInChI=1S/C19H23FN2O2S/c20-16-3-1-15(2-4-16)13-19(24)7-9-22(10-8-19)11-12-25-17-5-6-18(23)21-14-17/h1-6,14,24H,7-13H2,(H,21,23)
InChIKeyGOIGAVUTTARAAJ-UHFFFAOYSA-N
XLogP2.68
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one
CID 15985454
1-[2-(4-fluorophenyl)sulfanylethyl]-4-methylpiperidin-4-ol
CID 80707257
5-[[(3aS,6aR)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methylsulfanyl]-1H-pyridin-2-one
CID 126687364
4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 60895688
1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone
CID 131961692
3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol
CID 83818582
5-[3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]prop-1-ynyl]-1,3-dihydrobenzimidazol-2-one
CID 10571768
1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 162213078
2-[1-[2-(4-fluorophenyl)sulfanylethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659227
2-fluoro-1-[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one
CID 167941877
4-(aminomethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidin-4-ol
CID 95472427
1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 136532750

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one (CID 15985704) is 5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one is O=c1ccc(SCCN2CCC(O)(Cc3ccc(F)cc3)CC2)c[nH]1.
What is the InChIKey of 5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one?
The InChIKey is GOIGAVUTTARAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c20-16-3-1-15(2-4-16)13-19(24)7-9-22(10-8-19)11-12-25-17-5-6-18(23)21-14-17/h1-6,14,24H,7-13H2,(H,21,23).
What are the key properties of 5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one?
5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one has a molecular weight of 362.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one is sourced from PubChem (CID 15985704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).