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

C17H24F3N3O3 — CID 146402048

IUPAC2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCN1CCC(NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)CC1
InChIInChI=1S/C17H24F3N3O3/c1-16(2,15(24)22-12-6-9-23(3)10-7-12)11-25-14-13(5-4-8-21-14)26-17(18,19)20/h4-5,8,12H,6-7,9-11H2,1-3H3,(H,22,24)
InChIKeyIQYBYFONBYCRDJ-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.60
Rot. Bonds6

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

2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 146402048) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID146402048
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Name2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCN1CCC(NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)CC1
InChIInChI=1S/C17H24F3N3O3/c1-16(2,15(24)22-12-6-9-23(3)10-7-12)11-25-14-13(5-4-8-21-14)26-17(18,19)20/h4-5,8,12H,6-7,9-11H2,1-3H3,(H,22,24)
InChIKeyIQYBYFONBYCRDJ-UHFFFAOYSA-N
XLogP2.60
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 146402048) is 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is CN1CCC(NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is IQYBYFONBYCRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-16(2,15(24)22-12-6-9-23(3)10-7-12)11-25-14-13(5-4-8-21-14)26-17(18,19)20/h4-5,8,12H,6-7,9-11H2,1-3H3,(H,22,24).
What are the key properties of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 375.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).