tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate

C24H30BrFN2O4 — CID 134210077

IUPACtert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(Cn2cc(Br)c(-c3ccccc3F)cc2=O)C(C)(C)C1
InChIInChI=1S/C24H30BrFN2O4/c1-22(2,3)32-21(30)27-11-10-24(31,23(4,5)14-27)15-28-13-18(25)17(12-20(28)29)16-8-6-7-9-19(16)26/h6-9,12-13,31H,10-11,14-15H2,1-5H3
InChIKeyXUWDRHFCIGMSKM-UHFFFAOYSA-N
MW509.42 g/mol
LogP4.82
Rot. Bonds3

About tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate

tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate (PubChem CID 134210077) has the molecular formula C24H30BrFN2O4 and a molecular weight of 509.42 g/mol. Its IUPAC name is tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
PubChem CID134210077
Molecular FormulaC24H30BrFN2O4
Molecular Weight509.42 g/mol
Exact Mass508.14
IUPAC Nametert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(Cn2cc(Br)c(-c3ccccc3F)cc2=O)C(C)(C)C1
InChIInChI=1S/C24H30BrFN2O4/c1-22(2,3)32-21(30)27-11-10-24(31,23(4,5)14-27)15-28-13-18(25)17(12-20(28)29)16-8-6-7-9-19(16)26/h6-9,12-13,31H,10-11,14-15H2,1-5H3
InChIKeyXUWDRHFCIGMSKM-UHFFFAOYSA-N
XLogP4.82
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[1-[[(4S)-1-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-6-oxopyridine-3-carbonyl]piperazine-1-carboxylate
CID 139347077
tert-butyl 4-[1-[[(4S)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-6-oxopyridine-3-carbonyl]piperazine-1-carboxylate
CID 139347220
1-[[(4S)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylic acid
CID 134211869
tert-butyl 4-[1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carbonyl]piperazine-1-carboxylate
CID 139347336
ethyl 1-[[(4S)-1-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
CID 134209811
tert-butyl (3R)-4-[(10S)-10-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-3-phenylpiperazine-1-carboxylate
CID 150904161
tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 151381307
tert-butyl (10R)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 165141849
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
1-[[(10R)-7-(3-cyclobutyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
CID 139347063
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618
tert-butyl 4-[1,5-bis(2-fluorophenyl)-4-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-oxopentan-2-yl]-4-methylpiperidine-1-carboxylate
CID 174479489

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate (CID 134210077) is tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(Cn2cc(Br)c(-c3ccccc3F)cc2=O)C(C)(C)C1.
What is the InChIKey of tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate?
The InChIKey is XUWDRHFCIGMSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrFN2O4/c1-22(2,3)32-21(30)27-11-10-24(31,23(4,5)14-27)15-28-13-18(25)17(12-20(28)29)16-8-6-7-9-19(16)26/h6-9,12-13,31H,10-11,14-15H2,1-5H3.
What are the key properties of tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate?
tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate has a molecular weight of 509.42 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 134210077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).