N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C23H28F3N3O2 — CID 146402208

IUPACN,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCN(C(=O)C(C)(C)COc1ncccc1C(F)(F)F)C1CCNCC1c1ccccc1
InChIInChI=1S/C23H28F3N3O2/c1-22(2,15-31-20-18(23(24,25)26)10-7-12-28-20)21(30)29(3)19-11-13-27-14-17(19)16-8-5-4-6-9-16/h4-10,12,17,19,27H,11,13-15H2,1-3H3
InChIKeyYASVTVVCTWFGSE-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.11
Rot. Bonds6

About N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146402208) has the molecular formula C23H28F3N3O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146402208
Molecular FormulaC23H28F3N3O2
Molecular Weight435.49 g/mol
Exact Mass435.21
IUPAC NameN,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCN(C(=O)C(C)(C)COc1ncccc1C(F)(F)F)C1CCNCC1c1ccccc1
InChIInChI=1S/C23H28F3N3O2/c1-22(2,15-31-20-18(23(24,25)26)10-7-12-28-20)21(30)29(3)19-11-13-27-14-17(19)16-8-5-4-6-9-16/h4-10,12,17,19,27H,11,13-15H2,1-3H3
InChIKeyYASVTVVCTWFGSE-UHFFFAOYSA-N
XLogP4.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,2-trimethyl-N-[(3S,4S)-3-(2-methyl-3-pyridinyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402336
methane;[(3S,4S)-3-phenylpiperidin-4-yl] 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanoate;[(3R,4R)-3-phenylpiperidin-4-yl] 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanoate
CID 162161442
[(3R,4R)-3-(4-methylphenyl)piperidin-4-yl] 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanoate
CID 153338965
[3-(2-methylphenyl)piperidin-4-yl] 2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanoate
CID 146401877
2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid
CID 175349145
2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402091
N-methyl-N-[(3R,4R)-3-phenylpiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 68937823
2,2-dimethyl-N-[(3S,4R)-4-methylpyrrolidin-3-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2-dimethyl-N-[(3R,4S)-4-methylpyrrolidin-3-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 162010496
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 158839234
N-(4,4-difluoropyrrolidin-3-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402376
2,2-dimethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402310
2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide
CID 58990677

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146402208) is N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is CN(C(=O)C(C)(C)COc1ncccc1C(F)(F)F)C1CCNCC1c1ccccc1.
What is the InChIKey of N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is YASVTVVCTWFGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O2/c1-22(2,15-31-20-18(23(24,25)26)10-7-12-28-20)21(30)29(3)19-11-13-27-14-17(19)16-8-5-4-6-9-16/h4-10,12,17,19,27H,11,13-15H2,1-3H3.
What are the key properties of N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 435.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(3-phenylpiperidin-4-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).