3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide

C17H25FN2O2 — CID 146402416

IUPAC3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(C)(C)COc2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O2/c1-17(2,12-22-15-7-5-4-6-14(15)18)16(21)19-13-8-10-20(3)11-9-13/h4-7,13H,8-12H2,1-3H3,(H,19,21)
InChIKeyNQTIFIYVEIVVGU-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.44
Rot. Bonds5

About 3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide

3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 146402416) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID146402416
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(C)(C)COc2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O2/c1-17(2,12-22-15-7-5-4-6-14(15)18)16(21)19-13-8-10-20(3)11-9-13/h4-7,13H,8-12H2,1-3H3,(H,19,21)
InChIKeyNQTIFIYVEIVVGU-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 53286385
3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402380
2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 16895399
2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236365
3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402354
2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 110714979
2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088
N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 45115607
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324417
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236105
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238738
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-ethylphenoxy)-2,2-dimethylpropanamide
CID 146402134

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide (CID 146402416) is 3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(NC(=O)C(C)(C)COc2ccccc2F)CC1.
What is the InChIKey of 3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is NQTIFIYVEIVVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-17(2,12-22-15-7-5-4-6-14(15)18)16(21)19-13-8-10-20(3)11-9-13/h4-7,13H,8-12H2,1-3H3,(H,19,21).
What are the key properties of 3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 308.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 146402416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).