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

C18H26F3N3O — CID 120597411

IUPAC2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide
SMILESCC(N)(C(=O)NCCC1CCN(CC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C18H26F3N3O/c1-17(22,15-5-3-2-4-6-15)16(25)23-10-7-14-8-11-24(12-9-14)13-18(19,20)21/h2-6,14H,7-13,22H2,1H3,(H,23,25)
InChIKeyGKNIRKGKVOIMLO-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.64
Rot. Bonds6

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

2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide (PubChem CID 120597411) has the molecular formula C18H26F3N3O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide
PubChem CID120597411
Molecular FormulaC18H26F3N3O
Molecular Weight357.42 g/mol
Exact Mass357.20
IUPAC Name2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide
SMILESCC(N)(C(=O)NCCC1CCN(CC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C18H26F3N3O/c1-17(22,15-5-3-2-4-6-15)16(25)23-10-7-14-8-11-24(12-9-14)13-18(19,20)21/h2-6,14H,7-13,22H2,1H3,(H,23,25)
InChIKeyGKNIRKGKVOIMLO-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide
CID 120595588
2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 122084249
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120588866
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 120595447
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
3-(2-aminophenyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide;dihydrochloride
CID 120613450
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide
CID 120595902
(2S)-2-amino-3,3-dimethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]butanamide;dihydrochloride
CID 119898422
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539
2-amino-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120588942
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide?
The IUPAC name of 2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide (CID 120597411) is 2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide.
What is the SMILES notation for 2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide?
The canonical SMILES for 2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide is CC(N)(C(=O)NCCC1CCN(CC(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide?
The InChIKey is GKNIRKGKVOIMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O/c1-17(22,15-5-3-2-4-6-15)16(25)23-10-7-14-8-11-24(12-9-14)13-18(19,20)21/h2-6,14H,7-13,22H2,1H3,(H,23,25).
What are the key properties of 2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide?
2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide has a molecular weight of 357.42 g/mol, XLogP of 2.64, 6 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-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide is sourced from PubChem (CID 120597411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).