1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one

C17H23FN2O2 — CID 110020111

IUPAC1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one
SMILESCC(O)C1CCN(C2CCCN(c3cccc(F)c3)C2=O)C1
InChIInChI=1S/C17H23FN2O2/c1-12(21)13-7-9-19(11-13)16-6-3-8-20(17(16)22)15-5-2-4-14(18)10-15/h2,4-5,10,12-13,16,21H,3,6-9,11H2,1H3
InChIKeyFHJOFNKCZZUVAC-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.02
Rot. Bonds3

About 1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one

1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one (PubChem CID 110020111) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one
PubChem CID110020111
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one
SMILESCC(O)C1CCN(C2CCCN(c3cccc(F)c3)C2=O)C1
InChIInChI=1S/C17H23FN2O2/c1-12(21)13-7-9-19(11-13)16-6-3-8-20(17(16)22)15-5-2-4-14(18)10-15/h2,4-5,10,12-13,16,21H,3,6-9,11H2,1H3
InChIKeyFHJOFNKCZZUVAC-UHFFFAOYSA-N
XLogP2.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one
CID 111380901
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-phenylpyrrolidin-2-one
CID 110020226
1-(4-chloro-3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
CID 110020322
1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one
CID 84597909
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110020239
1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
CID 110020445
(3S)-3-[(3R,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-1-phenylpiperidin-2-one
CID 124856267
1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one
CID 138042379
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one
CID 112626469
1-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95353670
1-[(2R)-butan-2-yl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546996
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 107358265

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one (CID 110020111) is 1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one is CC(O)C1CCN(C2CCCN(c3cccc(F)c3)C2=O)C1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one?
The InChIKey is FHJOFNKCZZUVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12(21)13-7-9-19(11-13)16-6-3-8-20(17(16)22)15-5-2-4-14(18)10-15/h2,4-5,10,12-13,16,21H,3,6-9,11H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one?
1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one has a molecular weight of 306.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one is sourced from PubChem (CID 110020111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).