1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one

C23H27FN2O3 — CID 51501316

IUPAC1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc([C@H](O)CN2CCC(O)(c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H27FN2O3/c24-20-5-2-1-4-19(20)23(29)11-14-25(15-12-23)16-21(27)17-7-9-18(10-8-17)26-13-3-6-22(26)28/h1-2,4-5,7-10,21,27,29H,3,6,11-16H2/t21-/m1/s1
InChIKeyOYNXXAGSKLHTAO-OAQYLSRUSA-N
MW398.48 g/mol
LogP2.97
Rot. Bonds5

About 1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one

1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one (PubChem CID 51501316) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one
PubChem CID51501316
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc([C@H](O)CN2CCC(O)(c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H27FN2O3/c24-20-5-2-1-4-19(20)23(29)11-14-25(15-12-23)16-21(27)17-7-9-18(10-8-17)26-13-3-6-22(26)28/h1-2,4-5,7-10,21,27,29H,3,6,11-16H2/t21-/m1/s1
InChIKeyOYNXXAGSKLHTAO-OAQYLSRUSA-N
XLogP2.97
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1R)-1-hydroxy-2-[(4S)-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]pyrrolidin-2-one
CID 51590555
4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501596
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-4-(2-methylphenyl)piperidin-4-ol
CID 16673267
4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol
CID 46953602
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-ol
CID 51501654
1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one
CID 3228845
4-(4-fluorophenyl)-1-[(2S)-2-hydroxy-2-(4-phenylphenyl)ethyl]piperidin-4-ol
CID 51501336
4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 18552686
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[6-[(1S)-1-hydroxy-2-[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51501144
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501506
N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38513895

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one (CID 51501316) is 1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc([C@H](O)CN2CCC(O)(c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one?
The InChIKey is OYNXXAGSKLHTAO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27FN2O3/c24-20-5-2-1-4-19(20)23(29)11-14-25(15-12-23)16-21(27)17-7-9-18(10-8-17)26-13-3-6-22(26)28/h1-2,4-5,7-10,21,27,29H,3,6,11-16H2/t21-/m1/s1.
What are the key properties of 1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one?
1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one has a molecular weight of 398.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 51501316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).