1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one

C18H23FN2O2 — CID 97023664

IUPAC1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESC[C@@H]1CCN(C(=O)CN2CCCCC2=O)[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H23FN2O2/c1-13-8-10-21(18(13)14-5-4-6-15(19)11-14)17(23)12-20-9-3-2-7-16(20)22/h4-6,11,13,18H,2-3,7-10,12H2,1H3/t13-,18-/m1/s1
InChIKeyGGUTYPOCOGHZGK-FZKQIMNGSA-N
MW318.39 g/mol
LogP2.75
Rot. Bonds3

About 1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one

1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 97023664) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID97023664
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESC[C@@H]1CCN(C(=O)CN2CCCCC2=O)[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H23FN2O2/c1-13-8-10-21(18(13)14-5-4-6-15(19)11-14)17(23)12-20-9-3-2-7-16(20)22/h4-6,11,13,18H,2-3,7-10,12H2,1H3/t13-,18-/m1/s1
InChIKeyGGUTYPOCOGHZGK-FZKQIMNGSA-N
XLogP2.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one with MolForge

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Related Compounds

3,3-difluoro-1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 124740019
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119808005
7-amino-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119807985
tert-butyl (3S)-2-(3-fluorophenyl)-3-methylpyrrolidine-1-carboxylate
CID 66684612
1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119808014
1-[2-oxo-2-[(2S)-2-phenylazetidin-1-yl]ethyl]pyrrolidin-2-one
CID 97278240
1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119808004
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 97279560
1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 124886786
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methanone
CID 124689082
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(2R,3S)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methanone
CID 124693173
1-[2-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 26327850

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one (CID 97023664) is 1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one is C[C@@H]1CCN(C(=O)CN2CCCCC2=O)[C@H]1c1cccc(F)c1.
What is the InChIKey of 1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is GGUTYPOCOGHZGK-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-13-8-10-21(18(13)14-5-4-6-15(19)11-14)17(23)12-20-9-3-2-7-16(20)22/h4-6,11,13,18H,2-3,7-10,12H2,1H3/t13-,18-/m1/s1.
What are the key properties of 1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 318.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 97023664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).