1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C19H25FN2O3 — CID 31105868

IUPAC1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(CN1CCCC1=O)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H25FN2O3/c20-16-4-1-3-15(11-16)12-19(14-23)6-9-21(10-7-19)18(25)13-22-8-2-5-17(22)24/h1,3-4,11,23H,2,5-10,12-14H2
InChIKeyRYMIECSMMFPGCP-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.59
Rot. Bonds5

About 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 31105868) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID31105868
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(CN1CCCC1=O)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H25FN2O3/c20-16-4-1-3-15(11-16)12-19(14-23)6-9-21(10-7-19)18(25)13-22-8-2-5-17(22)24/h1,3-4,11,23H,2,5-10,12-14H2
InChIKeyRYMIECSMMFPGCP-UHFFFAOYSA-N
XLogP1.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-Butenoyl)-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23724064
[3-(2-Phenylethyl)-1-(4,4,4-trifluorobutanoyl)-3-piperidinyl]methanol
CID 23723355
{1-[(1-Methylcyclopropyl)carbonyl]-4-[3-(trifluoromethyl)benzyl]-4-piperidinyl}methanol
CID 23723853
1-{3-[3-Benzyl-3-(hydroxymethyl)-1-piperidinyl]-3-oxopropyl}-2-pyrrolidinone
CID 24790770
[4-(2-Phenylethyl)-1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methanol
CID 23723811
(3S*,4R*)-4-(4-fluorophenyl)-1-[2-oxo-2-(1-piperidinyl)ethyl]-3-pyrrolidinecarboxylic acid
CID 72849357
2-[cyclopentyl(methyl)amino]-1-[(3R,4S)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethanone
CID 129580630
2-[cyclopentyl(methyl)amino]-1-[(3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethanone
CID 129580632
3-{2-[4-(3-Fluorobenzyl)-4-(hydroxymethyl)-1-piperidinyl]-2-oxoethyl}-1,3-oxazolidin-2-one
CID 42240062
1-{2-[4-(Hydroxymethyl)-4-(2-phenylethyl)-1-piperidinyl]-1-methyl-2-oxoethyl}-2-pyrrolidinone
CID 45174530
5-[3-(2-Fluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]-5-oxo-2-pentanone
CID 45176565
[1-(3-Cyclopentylpropanoyl)-3-(4-fluorobenzyl)-3-piperidinyl]methanol
CID 45178856

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 31105868) is 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is O=C(CN1CCCC1=O)N1CCC(CO)(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is RYMIECSMMFPGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-16-4-1-3-15(11-16)12-19(14-23)6-9-21(10-7-19)18(25)13-22-8-2-5-17(22)24/h1,3-4,11,23H,2,5-10,12-14H2.
What are the key properties of 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 348.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 31105868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).