N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide

C23H27F3N2O2 — CID 171986071

IUPACN-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H27F3N2O2/c1-16-5-3-6-17(2)21(16)27-20(29)9-12-28-13-10-22(30,11-14-28)18-7-4-8-19(15-18)23(24,25)26/h3-8,15,30H,9-14H2,1-2H3,(H,27,29)
InChIKeySRYGOQUZJQFVFH-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.63
Rot. Bonds5

About N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide

N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide (PubChem CID 171986071) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide
PubChem CID171986071
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC NameN-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H27F3N2O2/c1-16-5-3-6-17(2)21(16)27-20(29)9-12-28-13-10-22(30,11-14-28)18-7-4-8-19(15-18)23(24,25)26/h3-8,15,30H,9-14H2,1-2H3,(H,27,29)
InChIKeySRYGOQUZJQFVFH-UHFFFAOYSA-N
XLogP4.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
1-(4-chloro-2-methylphenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CID 20560278
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
1-[4-(dimethylamino)phenyl]-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CID 154370321
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 56901291
1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 69461359
1-[2-(1,4-dioxan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 138808593
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912608
1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 24815354
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3784702
butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 143404383

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide (CID 171986071) is N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide is Cc1cccc(C)c1NC(=O)CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide?
The InChIKey is SRYGOQUZJQFVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c1-16-5-3-6-17(2)21(16)27-20(29)9-12-28-13-10-22(30,11-14-28)18-7-4-8-19(15-18)23(24,25)26/h3-8,15,30H,9-14H2,1-2H3,(H,27,29).
What are the key properties of N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide?
N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide has a molecular weight of 420.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 171986071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).