propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

C23H29FN2O5S — CID 24993716

IUPACpropan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2CF)CC1
InChIInChI=1S/C23H29FN2O5S/c1-16(2)31-23(27)26-12-10-17(11-13-26)15-30-22-9-8-20(25-21(22)14-24)18-4-6-19(7-5-18)32(3,28)29/h4-9,16-17H,10-15H2,1-3H3
InChIKeyMZEIKUGYJNGKKK-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.26
Rot. Bonds7

About propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (PubChem CID 24993716) has the molecular formula C23H29FN2O5S and a molecular weight of 464.56 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
PubChem CID24993716
Molecular FormulaC23H29FN2O5S
Molecular Weight464.56 g/mol
Exact Mass464.18
IUPAC Namepropan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2CF)CC1
InChIInChI=1S/C23H29FN2O5S/c1-16(2)31-23(27)26-12-10-17(11-13-26)15-30-22-9-8-20(25-21(22)14-24)18-4-6-19(7-5-18)32(3,28)29/h4-9,16-17H,10-15H2,1-3H3
InChIKeyMZEIKUGYJNGKKK-UHFFFAOYSA-N
XLogP4.26
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-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

Propan-2-yl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate
CID 67450949
Tert-butyl 4-[6-[(4-methylsulfonylphenyl)methoxy]-3-pyridinyl]piperazine-1-carboxylate
CID 60155100
US11059794, Example 1.01
CID 153307474
N,N-Diethyl-4-(3-methoxy-6-methylpyridin-2-YL)benzenesulfonamide
CID 72860009
2-[4-(Methylsulfonyl)phenyl]-6-[(2-pyridinylmethyl)oxy]-4-(trifluoromethyl)pyridine
CID 10341395
Propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 24993076
Methyl {4-[({6-[2-fluoro-4-(methylsulfonyl)phenyl]-3-pyridinyl}oxy)methyl]-1-piperidinyl}(oxo)acetate
CID 24993715
1,1-Dimethylethyl 4-[({6-[2-fluoro-4-(methylsulfonyl)phenyl]-3-pyridinyl}oxy)methyl]-1-piperidinecarboxylate
CID 24994336
4-Fluorophenyl 4-[methyl({6-[4-(methylsulfonyl)phenyl]pyridin-3-yl}methyl)amino]-piperidine-1-carboxylate
CID 25101689
(1-Methylcyclopropyl) 4-[[2,6-difluoro-4-(2-methyl-6-propylsulfonyl-3-pyridinyl)phenoxy]methyl]piperidine-1-carboxylate
CID 44556045
tert-Butyl 4-(6-((2-fluoro-4-(methylsulfonyl)phenoxy)methyl)pyridin-2-yl)piperidine-1-carboxylate
CID 44612242
Tert-butyl 4-[6-[[4-methylsulfonyl-2-(trifluoromethyl)phenoxy]methyl]pyridin-3-yl]piperidine-1-carboxylate
CID 44820150

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (CID 24993716) is propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2CF)CC1.
What is the InChIKey of propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is MZEIKUGYJNGKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O5S/c1-16(2)31-23(27)26-12-10-17(11-13-26)15-30-22-9-8-20(25-21(22)14-24)18-4-6-19(7-5-18)32(3,28)29/h4-9,16-17H,10-15H2,1-3H3.
What are the key properties of propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 464.56 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(fluoromethyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 24993716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).