2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone

C18H23FN2O3 — CID 90512384

IUPAC2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone
SMILESCC1CCCCN1C(=O)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C18H23FN2O3/c1-13-6-4-5-9-21(13)18(23)14-10-20(11-14)17(22)12-24-16-8-3-2-7-15(16)19/h2-3,7-8,13-14H,4-6,9-12H2,1H3
InChIKeySNMKQKNJQYOALX-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.06
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone (PubChem CID 90512384) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone
PubChem CID90512384
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone
SMILESCC1CCCCN1C(=O)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C18H23FN2O3/c1-13-6-4-5-9-21(13)18(23)14-10-20(11-14)17(22)12-24-16-8-3-2-7-15(16)19/h2-3,7-8,13-14H,4-6,9-12H2,1H3
InChIKeySNMKQKNJQYOALX-UHFFFAOYSA-N
XLogP2.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636221
N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512369
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124589814
(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 79034586
(3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94482779
2-(2-fluorophenoxy)-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)azetidin-1-yl]ethanone
CID 56764735
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 119468063
2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 99634908
N-(4-acetamidophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512660
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone;hydrochloride
CID 119436216
2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid
CID 64604597

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone (CID 90512384) is 2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone is CC1CCCCN1C(=O)C1CN(C(=O)COc2ccccc2F)C1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone?
The InChIKey is SNMKQKNJQYOALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-13-6-4-5-9-21(13)18(23)14-10-20(11-14)17(22)12-24-16-8-3-2-7-15(16)19/h2-3,7-8,13-14H,4-6,9-12H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone has a molecular weight of 334.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 90512384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).