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

C24H30F3N3O2 — CID 146401887

IUPAC2,2-dimethyl-N-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCc1ccccc1[C@@H]1CN(C)CC[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C24H30F3N3O2/c1-16-8-5-6-9-17(16)18-14-30(4)13-11-20(18)29-22(31)23(2,3)15-32-21-19(24(25,26)27)10-7-12-28-21/h5-10,12,18,20H,11,13-15H2,1-4H3,(H,29,31)/t18-,20+/m0/s1
InChIKeyXLNXHZLYJLQCGC-AZUAARDMSA-N
MW449.52 g/mol
LogP4.42
Rot. Bonds6

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

2,2-dimethyl-N-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146401887) has the molecular formula C24H30F3N3O2 and a molecular weight of 449.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146401887
Molecular FormulaC24H30F3N3O2
Molecular Weight449.52 g/mol
Exact Mass449.23
IUPAC Name2,2-dimethyl-N-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCc1ccccc1[C@@H]1CN(C)CC[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C24H30F3N3O2/c1-16-8-5-6-9-17(16)18-14-30(4)13-11-20(18)29-22(31)23(2,3)15-32-21-19(24(25,26)27)10-7-12-28-21/h5-10,12,18,20H,11,13-15H2,1-4H3,(H,29,31)/t18-,20+/m0/s1
InChIKeyXLNXHZLYJLQCGC-AZUAARDMSA-N
XLogP4.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.42
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-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146401887) is 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is Cc1ccccc1[C@@H]1CN(C)CC[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is XLNXHZLYJLQCGC-AZUAARDMSA-N. The full InChI is InChI=1S/C24H30F3N3O2/c1-16-8-5-6-9-17(16)18-14-30(4)13-11-20(18)29-22(31)23(2,3)15-32-21-19(24(25,26)27)10-7-12-28-21/h5-10,12,18,20H,11,13-15H2,1-4H3,(H,29,31)/t18-,20+/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
2,2-dimethyl-N-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 449.52 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3R,4R)-1-methyl-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).