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

C18H26F3N3O2 — CID 146401896

IUPACN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESC[C@@H]1C[C@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)CCN1C
InChIInChI=1S/C18H26F3N3O2/c1-12-10-13(7-9-24(12)4)23-16(25)17(2,3)11-26-15-14(18(19,20)21)6-5-8-22-15/h5-6,8,12-13H,7,9-11H2,1-4H3,(H,23,25)/t12-,13-/m1/s1
InChIKeyPAZHTQRFSKYTCX-CHWSQXEVSA-N
MW373.42 g/mol
LogP3.10
Rot. Bonds5

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

N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146401896) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146401896
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC NameN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESC[C@@H]1C[C@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)CCN1C
InChIInChI=1S/C18H26F3N3O2/c1-12-10-13(7-9-24(12)4)23-16(25)17(2,3)11-26-15-14(18(19,20)21)6-5-8-22-15/h5-6,8,12-13H,7,9-11H2,1-4H3,(H,23,25)/t12-,13-/m1/s1
InChIKeyPAZHTQRFSKYTCX-CHWSQXEVSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146401896) is N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is C[C@@H]1C[C@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)CCN1C.
What is the InChIKey of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is PAZHTQRFSKYTCX-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-12-10-13(7-9-24(12)4)23-16(25)17(2,3)11-26-15-14(18(19,20)21)6-5-8-22-15/h5-6,8,12-13H,7,9-11H2,1-4H3,(H,23,25)/t12-,13-/m1/s1.
What are the key properties of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 373.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).