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

C18H26F3N3O2 — CID 146401826

IUPACN-[(2R,4S)-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-OLZOCXBDSA-N
MW373.42 g/mol
LogP3.10
Rot. Bonds5

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

N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146401826) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146401826
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC NameN-[(2R,4S)-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-OLZOCXBDSA-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,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide with MolForge

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Related Compounds

2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4794993
US11045457, Example 210
CID 146401852
US11045457, Example 110
CID 146401856
US11045457, Example 161
CID 146401887
US11045457, Example 157
CID 146401932
US11045457, Example 119
CID 146401964
US11045457, Example 115
CID 146402382
US11045457, Example 209
CID 146402430
US11045457, Example 33
CID 146422009
N~1~-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}-L-alaninamide
CID 56759592
N-cyclohexyl-6-pentoxypyridine-3-carboxamide
CID 71454767

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146401826) is N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(2R,4S)-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,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is PAZHTQRFSKYTCX-OLZOCXBDSA-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,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N-[(2R,4S)-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,4S)-1,2-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).