2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C18H26F3N3O2 — CID 146401948

IUPAC2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCc1cnc(OCC(C)(C)C(=O)NC2CCN(C)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H26F3N3O2/c1-12-9-14(18(19,20)21)15(22-10-12)26-11-17(2,3)16(25)23-13-5-7-24(4)8-6-13/h9-10,13H,5-8,11H2,1-4H3,(H,23,25)
InChIKeyWNXGETFLYDMWEM-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.02
Rot. Bonds5

About 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146401948) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146401948
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC Name2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCc1cnc(OCC(C)(C)C(=O)NC2CCN(C)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H26F3N3O2/c1-12-9-14(18(19,20)21)15(22-10-12)26-11-17(2,3)16(25)23-13-5-7-24(4)8-6-13/h9-10,13H,5-8,11H2,1-4H3,(H,23,25)
InChIKeyWNXGETFLYDMWEM-UHFFFAOYSA-N
XLogP3.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.02
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-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146401948) is 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is Cc1cnc(OCC(C)(C)C(=O)NC2CCN(C)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is WNXGETFLYDMWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-12-9-14(18(19,20)21)15(22-10-12)26-11-17(2,3)16(25)23-13-5-7-24(4)8-6-13/h9-10,13H,5-8,11H2,1-4H3,(H,23,25).
What are the key properties of 2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
2,2-dimethyl-N-(1-methylpiperidin-4-yl)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 373.42 g/mol, XLogP of 3.02, 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-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).