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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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).