N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide

C22H25F3N2O2 — CID 100880959

IUPACN-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H25F3N2O2/c23-22(24,25)21(29)19-12-6-7-13-27(19)15-20(28)26-18-11-5-4-10-17(18)14-16-8-2-1-3-9-16/h1-5,8-11,19,21,29H,6-7,12-15H2,(H,26,28)/t19-,21+/m0/s1
InChIKeyHSNVOWSBKITEMX-PZJWPPBQSA-N
MW406.45 g/mol
LogP3.99
Rot. Bonds6

About N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide

N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide (PubChem CID 100880959) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide
PubChem CID100880959
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC NameN-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H25F3N2O2/c23-22(24,25)21(29)19-12-6-7-13-27(19)15-20(28)26-18-11-5-4-10-17(18)14-16-8-2-1-3-9-16/h1-5,8-11,19,21,29H,6-7,12-15H2,(H,26,28)/t19-,21+/m0/s1
InChIKeyHSNVOWSBKITEMX-PZJWPPBQSA-N
XLogP3.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide
CID 97082676
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide
CID 100880960
N-(2-benzylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 39902316
2-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]azepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 96534875
2-(2-phenylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18137719
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63255722
4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide
CID 167744505
3-[1-[2-(2-benzylanilino)-2-oxoethyl]piperidin-3-yl]propanoic acid
CID 122101341
(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 32728580
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide
CID 124554808
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 122135306
N-(2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 7332900

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide (CID 100880959) is N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide is O=C(CN1CCCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide?
The InChIKey is HSNVOWSBKITEMX-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c23-22(24,25)21(29)19-12-6-7-13-27(19)15-20(28)26-18-11-5-4-10-17(18)14-16-8-2-1-3-9-16/h1-5,8-11,19,21,29H,6-7,12-15H2,(H,26,28)/t19-,21+/m0/s1.
What are the key properties of N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide?
N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide has a molecular weight of 406.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 100880959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).