2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide

C17H24F3N3O2 — CID 146402385

IUPAC2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide
SMILESCN1CCC(NC(=O)C(C)(C)COc2cnccc2C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N3O2/c1-16(2,15(24)22-12-5-8-23(3)9-6-12)11-25-14-10-21-7-4-13(14)17(18,19)20/h4,7,10,12H,5-6,8-9,11H2,1-3H3,(H,22,24)
InChIKeyBZSLMIXHBDBDPI-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.72
Rot. Bonds5

About 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide

2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide (PubChem CID 146402385) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide
PubChem CID146402385
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide
SMILESCN1CCC(NC(=O)C(C)(C)COc2cnccc2C(F)(F)F)CC1
InChIInChI=1S/C17H24F3N3O2/c1-16(2,15(24)22-12-5-8-23(3)9-6-12)11-25-14-10-21-7-4-13(14)17(18,19)20/h4,7,10,12H,5-6,8-9,11H2,1-3H3,(H,22,24)
InChIKeyBZSLMIXHBDBDPI-UHFFFAOYSA-N
XLogP2.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide (CID 146402385) is 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide is CN1CCC(NC(=O)C(C)(C)COc2cnccc2C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide?
The InChIKey is BZSLMIXHBDBDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-16(2,15(24)22-12-5-8-23(3)9-6-12)11-25-14-10-21-7-4-13(14)17(18,19)20/h4,7,10,12H,5-6,8-9,11H2,1-3H3,(H,22,24).
What are the key properties of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide?
2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide has a molecular weight of 359.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).