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

C18H25F3N2O2 — CID 146401966

IUPAC2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCN1CCC(NC(=O)C(C)(C)COc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O2/c1-17(2,16(24)22-13-8-10-23(3)11-9-13)12-25-15-7-5-4-6-14(15)18(19,20)21/h4-7,13H,8-12H2,1-3H3,(H,22,24)
InChIKeyVQNJQICRAOFCSZ-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.32
Rot. Bonds5

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

2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 146401966) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID146401966
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCN1CCC(NC(=O)C(C)(C)COc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O2/c1-17(2,16(24)22-13-8-10-23(3)11-9-13)12-25-15-7-5-4-6-14(15)18(19,20)21/h4-7,13H,8-12H2,1-3H3,(H,22,24)
InChIKeyVQNJQICRAOFCSZ-UHFFFAOYSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide (CID 146401966) is 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide is CN1CCC(NC(=O)C(C)(C)COc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is VQNJQICRAOFCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-17(2,16(24)22-13-8-10-23(3)11-9-13)12-25-15-7-5-4-6-14(15)18(19,20)21/h4-7,13H,8-12H2,1-3H3,(H,22,24).
What are the key properties of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide?
2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 358.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 146401966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).