(3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone

C17H21F3N2O2 — CID 123271994

IUPAC(3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone
SMILESCOc1cccc(F)c1CN1CCCCC1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C17H21F3N2O2/c1-24-15-7-4-5-13(18)12(15)9-21-8-3-2-6-14(21)16(23)22-10-17(19,20)11-22/h4-5,7,14H,2-3,6,8-11H2,1H3
InChIKeyOCWMOBZOYKHXGG-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.67
Rot. Bonds4

About (3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone

(3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone (PubChem CID 123271994) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone
PubChem CID123271994
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name(3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone
SMILESCOc1cccc(F)c1CN1CCCCC1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C17H21F3N2O2/c1-24-15-7-4-5-13(18)12(15)9-21-8-3-2-6-14(21)16(23)22-10-17(19,20)11-22/h4-5,7,14H,2-3,6,8-11H2,1H3
InChIKeyOCWMOBZOYKHXGG-UHFFFAOYSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone with MolForge

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Related Compounds

1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 65054001
methyl (2S)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 30980101
[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 134796455
(2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 99928674
2-[(3S,6S)-6-(3,3-difluoroazetidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 158981603
(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 86310024
1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide
CID 63331060
1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone
CID 55257955
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
CID 113219671
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914097
1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid
CID 65432630

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone (CID 123271994) is (3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone is COc1cccc(F)c1CN1CCCCC1C(=O)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone?
The InChIKey is OCWMOBZOYKHXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-24-15-7-4-5-13(18)12(15)9-21-8-3-2-6-14(21)16(23)22-10-17(19,20)11-22/h4-5,7,14H,2-3,6,8-11H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone has a molecular weight of 342.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone is sourced from PubChem (CID 123271994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).