1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

C28H33F6N3O4 — CID 139346894

IUPAC1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(C[C@@]2(O)CCN(C(=O)C(CC(F)(F)F)CC(F)(F)F)CC2(C)C)c(=O)cc1-c1ccccc1
InChIInChI=1S/C28H33F6N3O4/c1-25(2)16-36(23(39)19(13-27(29,30)31)14-28(32,33)34)11-10-26(25,41)17-37-15-21(24(40)35(3)4)20(12-22(37)38)18-8-6-5-7-9-18/h5-9,12,15,19,41H,10-11,13-14,16-17H2,1-4H3/t26-/m0/s1
InChIKeyQHDGACQFTTUPQF-SANMLTNESA-N
MW589.58 g/mol
LogP4.73
Rot. Bonds7

About 1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 139346894) has the molecular formula C28H33F6N3O4 and a molecular weight of 589.58 g/mol. Its IUPAC name is 1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
PubChem CID139346894
Molecular FormulaC28H33F6N3O4
Molecular Weight589.58 g/mol
Exact Mass589.24
IUPAC Name1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(C[C@@]2(O)CCN(C(=O)C(CC(F)(F)F)CC(F)(F)F)CC2(C)C)c(=O)cc1-c1ccccc1
InChIInChI=1S/C28H33F6N3O4/c1-25(2)16-36(23(39)19(13-27(29,30)31)14-28(32,33)34)11-10-26(25,41)17-37-15-21(24(40)35(3)4)20(12-22(37)38)18-8-6-5-7-9-18/h5-9,12,15,19,41H,10-11,13-14,16-17H2,1-4H3/t26-/m0/s1
InChIKeyQHDGACQFTTUPQF-SANMLTNESA-N
XLogP4.73
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.58
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347160
1-[[(4S)-1-[2-(cyclohexylmethyl)-3-hydroxypropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139346939
1-[[10-hydroxy-7-[(2R)-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218906
1-[[10-hydroxy-7-(4,4,4-trifluoro-3-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139346883
1-[[(10R)-10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-5-(4-methylpiperazine-1-carbonyl)-4-phenylpyridin-2-one
CID 139346885
1-[[10-hydroxy-7-(2-methyl-3-piperidin-1-ylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218548
1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
CID 139347103
1-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
CID 139347106
1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218904
1-[[7-(4,4-difluoro-3-phenylbutanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139346871
1-[[7-(2-cyclohexyloxypropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347016
1-[[(5S)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-9-oxa-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 166633395

Frequently Asked Questions

What is the IUPAC name of 1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 139346894) is 1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is CN(C)C(=O)c1cn(C[C@@]2(O)CCN(C(=O)C(CC(F)(F)F)CC(F)(F)F)CC2(C)C)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The InChIKey is QHDGACQFTTUPQF-SANMLTNESA-N. The full InChI is InChI=1S/C28H33F6N3O4/c1-25(2)16-36(23(39)19(13-27(29,30)31)14-28(32,33)34)11-10-26(25,41)17-37-15-21(24(40)35(3)4)20(12-22(37)38)18-8-6-5-7-9-18/h5-9,12,15,19,41H,10-11,13-14,16-17H2,1-4H3/t26-/m0/s1.
What are the key properties of 1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 589.58 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 139346894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).