(2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide

C22H25F3N2O2 — CID 27223610

IUPAC(2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C22H25F3N2O2/c1-16(27-13-5-8-18(14-27)22(23,24)25)21(28)26-19-9-11-20(12-10-19)29-15-17-6-3-2-4-7-17/h2-4,6-7,9-12,16,18H,5,8,13-15H2,1H3,(H,26,28)/t16-,18-/m1/s1
InChIKeyUTSWMUVKQRJNRT-SJLPKXTDSA-N
MW406.45 g/mol
LogP4.87
Rot. Bonds6

About (2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide

(2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 27223610) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is (2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID27223610
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name(2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C22H25F3N2O2/c1-16(27-13-5-8-18(14-27)22(23,24)25)21(28)26-19-9-11-20(12-10-19)29-15-17-6-3-2-4-7-17/h2-4,6-7,9-12,16,18H,5,8,13-15H2,1H3,(H,26,28)/t16-,18-/m1/s1
InChIKeyUTSWMUVKQRJNRT-SJLPKXTDSA-N
XLogP4.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,N-dimethyl-1-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide
CID 52512705
(3R)-N,N-dimethyl-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidine-3-carboxamide
CID 100852973
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 111332432
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 17411208
(3S)-1-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51961419
(2S)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 25352583
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 46663268
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 164584665
(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275461
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801609
cyclopentyl-dimethyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
CID 8875841

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 27223610) is (2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide is C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is UTSWMUVKQRJNRT-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-16(27-13-5-8-18(14-27)22(23,24)25)21(28)26-19-9-11-20(12-10-19)29-15-17-6-3-2-4-7-17/h2-4,6-7,9-12,16,18H,5,8,13-15H2,1H3,(H,26,28)/t16-,18-/m1/s1.
What are the key properties of (2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide?
(2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 406.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 27223610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).