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

C18H26F3N3O3 — CID 146402414

IUPACN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESC[C@@H]1C[C@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)CCN1C
InChIInChI=1S/C18H26F3N3O3/c1-12-10-13(7-9-24(12)4)23-16(25)17(2,3)11-26-15-14(6-5-8-22-15)27-18(19,20)21/h5-6,8,12-13H,7,9-11H2,1-4H3,(H,23,25)/t12-,13-/m1/s1
InChIKeyVSCUMXQEGVEBGH-CHWSQXEVSA-N
MW389.42 g/mol
LogP2.98
Rot. Bonds6

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

N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 146402414) has the molecular formula C18H26F3N3O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID146402414
Molecular FormulaC18H26F3N3O3
Molecular Weight389.42 g/mol
Exact Mass389.19
IUPAC NameN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESC[C@@H]1C[C@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)CCN1C
InChIInChI=1S/C18H26F3N3O3/c1-12-10-13(7-9-24(12)4)23-16(25)17(2,3)11-26-15-14(6-5-8-22-15)27-18(19,20)21/h5-6,8,12-13H,7,9-11H2,1-4H3,(H,23,25)/t12-,13-/m1/s1
InChIKeyVSCUMXQEGVEBGH-CHWSQXEVSA-N
XLogP2.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 146402414) is N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is C[C@@H]1C[C@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)CCN1C.
What is the InChIKey of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is VSCUMXQEGVEBGH-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H26F3N3O3/c1-12-10-13(7-9-24(12)4)23-16(25)17(2,3)11-26-15-14(6-5-8-22-15)27-18(19,20)21/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-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 389.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).