2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide

C16H22F3N3O — CID 122084249

IUPAC2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
SMILESCC(N)(C(=O)NC1CCN(CC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C16H22F3N3O/c1-15(20,12-5-3-2-4-6-12)14(23)21-13-7-9-22(10-8-13)11-16(17,18)19/h2-6,13H,7-11,20H2,1H3,(H,21,23)
InChIKeyWLEKDUPJVHZNFK-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide

2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide (PubChem CID 122084249) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
PubChem CID122084249
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
SMILESCC(N)(C(=O)NC1CCN(CC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C16H22F3N3O/c1-15(20,12-5-3-2-4-6-12)14(23)21-13-7-9-22(10-8-13)11-16(17,18)19/h2-6,13H,7-11,20H2,1H3,(H,21,23)
InChIKeyWLEKDUPJVHZNFK-UHFFFAOYSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide
CID 120597411
2-amino-2-phenyl-N-(1-phenylpiperidin-4-yl)propanamide
CID 120595916
2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide
CID 120595588
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride
CID 120587710
2-amino-N-cycloheptyl-2-phenylpropanamide;hydrochloride
CID 120586523
2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride
CID 120590622
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylpropanamide
CID 62487733
2-amino-N-(3,5-dimethylcyclohexyl)-2-phenylpropanamide
CID 64732725
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-phenylpropanamide
CID 79401075
cis-(1S,3R)-3-[(2-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 146109351
(2R)-N-cyclopropyl-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-phenylpropyl]piperidin-4-yl]acetamide
CID 129489619
1-(1-benzylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48953524

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide (CID 122084249) is 2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide is CC(N)(C(=O)NC1CCN(CC(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
The InChIKey is WLEKDUPJVHZNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-15(20,12-5-3-2-4-6-12)14(23)21-13-7-9-22(10-8-13)11-16(17,18)19/h2-6,13H,7-11,20H2,1H3,(H,21,23).
What are the key properties of 2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide?
2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide has a molecular weight of 329.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 122084249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).