1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone

C17H22FNO3 — CID 156605496

IUPAC1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone
SMILESCC1CN(C(=O)COc2cccc(F)c2)CC1(O)C1CCC1
InChIInChI=1S/C17H22FNO3/c1-12-9-19(11-17(12,21)13-4-2-5-13)16(20)10-22-15-7-3-6-14(18)8-15/h3,6-8,12-13,21H,2,4-5,9-11H2,1H3
InChIKeyXDGXBWHFXIOTQT-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.21
Rot. Bonds4

About 1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone

1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone (PubChem CID 156605496) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone
PubChem CID156605496
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone
SMILESCC1CN(C(=O)COc2cccc(F)c2)CC1(O)C1CCC1
InChIInChI=1S/C17H22FNO3/c1-12-9-19(11-17(12,21)13-4-2-5-13)16(20)10-22-15-7-3-6-14(18)8-15/h3,6-8,12-13,21H,2,4-5,9-11H2,1H3
InChIKeyXDGXBWHFXIOTQT-UHFFFAOYSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 72908895
2-(3-fluorophenoxy)-1-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)ethanone
CID 154837948
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 120817079
2-(3-fluorophenoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260737
2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110156703
2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 131952345
1-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-2-(3-fluorophenoxy)ethanone
CID 135092043
2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657109
1-[3-[(3-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
CID 132770532
1-[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-2-(3-fluorophenoxy)ethanone
CID 95723952
2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone
CID 154838081
1-[4-[2-(3-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796896

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone?
The IUPAC name of 1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone (CID 156605496) is 1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone?
The canonical SMILES for 1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone is CC1CN(C(=O)COc2cccc(F)c2)CC1(O)C1CCC1.
What is the InChIKey of 1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone?
The InChIKey is XDGXBWHFXIOTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-12-9-19(11-17(12,21)13-4-2-5-13)16(20)10-22-15-7-3-6-14(18)8-15/h3,6-8,12-13,21H,2,4-5,9-11H2,1H3.
What are the key properties of 1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone?
1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone has a molecular weight of 307.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone is sourced from PubChem (CID 156605496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).