propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

C24H32FN3O4S — CID 143689769

IUPACpropan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCOCCNSc1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)C)CC3)cn2)c(F)c1
InChIInChI=1S/C24H32FN3O4S/c1-17(2)32-24(29)28-11-8-18(9-12-28)16-31-19-4-7-23(26-15-19)21-6-5-20(14-22(21)25)33-27-10-13-30-3/h4-7,14-15,17-18,27H,8-13,16H2,1-3H3
InChIKeyGYTUHUZZODTJHH-UHFFFAOYSA-N
MW477.60 g/mol
LogP4.77
Rot. Bonds10

About propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (PubChem CID 143689769) has the molecular formula C24H32FN3O4S and a molecular weight of 477.60 g/mol. Its IUPAC name is propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
PubChem CID143689769
Molecular FormulaC24H32FN3O4S
Molecular Weight477.60 g/mol
Exact Mass477.21
IUPAC Namepropan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCOCCNSc1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)C)CC3)cn2)c(F)c1
InChIInChI=1S/C24H32FN3O4S/c1-17(2)32-24(29)28-11-8-18(9-12-28)16-31-19-4-7-23(26-15-19)21-6-5-20(14-22(21)25)33-27-10-13-30-3/h4-7,14-15,17-18,27H,8-13,16H2,1-3H3
InChIKeyGYTUHUZZODTJHH-UHFFFAOYSA-N
XLogP4.77
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.60
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 66672691
propan-2-yl 4-[[6-[4-[ethylidene-(2-methoxyethylamino)-λ4-sulfanyl]-2-fluorophenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 149425104
propan-2-yl 4-[[6-(2-fluoro-4-methylsulfinylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 59177814
CID 163623911
CID 163623911
propan-2-yl 4-[[3-methoxy-4-(4-methylsulfanylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 143689806
propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 24996555
propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 24992753
methyl 4-[5-[(1-tert-butylpiperidin-4-yl)methoxy]-2-pyridinyl]-3-fluorobenzoate
CID 118109676
propan-2-yl 4-[[6-[4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)-3-fluorophenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 66822079
propan-2-yl 4-[[6-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 66672619
tert-butyl 4-[[6-(2-fluoro-6-methyl-3-pyridinyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 66673220
methyl 3-fluoro-4-[5-[[1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidin-4-yl]methoxy]-2-pyridinyl]benzoate
CID 118109669

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (CID 143689769) is propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is COCCNSc1ccc(-c2ccc(OCC3CCN(C(=O)OC(C)C)CC3)cn2)c(F)c1.
What is the InChIKey of propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is GYTUHUZZODTJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O4S/c1-17(2)32-24(29)28-11-8-18(9-12-28)16-31-19-4-7-23(26-15-19)21-6-5-20(14-22(21)25)33-27-10-13-30-3/h4-7,14-15,17-18,27H,8-13,16H2,1-3H3.
What are the key properties of propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 477.60 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 143689769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).