tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

C24H29FN2O5S — CID 67990254

IUPACtert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2Cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3O2)CC1
InChIInChI=1S/C24H29FN2O5S/c1-24(2,3)32-23(28)27-9-7-15(8-10-27)21-12-16-11-20(26-14-22(16)31-21)18-6-5-17(13-19(18)25)33(4,29)30/h5-6,11,13-15,21H,7-10,12H2,1-4H3
InChIKeySIFJASGBCRJHRJ-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.24
Rot. Bonds3

About tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 67990254) has the molecular formula C24H29FN2O5S and a molecular weight of 476.57 g/mol. Its IUPAC name is tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID67990254
Molecular FormulaC24H29FN2O5S
Molecular Weight476.57 g/mol
Exact Mass476.18
IUPAC Nametert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2Cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3O2)CC1
InChIInChI=1S/C24H29FN2O5S/c1-24(2,3)32-23(28)27-9-7-15(8-10-27)21-12-16-11-20(26-14-22(16)31-21)18-6-5-17(13-19(18)25)33(4,29)30/h5-6,11,13-15,21H,7-10,12H2,1-4H3
InChIKeySIFJASGBCRJHRJ-UHFFFAOYSA-N
XLogP4.24
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

Tert-butyl 4-[6-[(4-methylsulfonylphenyl)methoxy]-3-pyridinyl]piperazine-1-carboxylate
CID 60155100
4-[5-(2-Fluoro-4-methanesulfonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 67973596
4-[5-(4-Methanesulfonylphenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylic acid tert-butyl ester
CID 67973622
4-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736412
4-[5-(2-Fluoro-4-methanesulfonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid isopropyl ester
CID 71736723
4-[5-(2-Fluoro-4-methanesulfonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid 1-methyl-cyclopropyl ester
CID 71736724
4-[5-(4-Methanesulfonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-4-methyl-piperidine-1-carboxylic acid tert-butyl ester
CID 86694586
4-(4-(methylsulfonyl)phenyl)-4H-benzo[b]pyrrolo[1,2-d][1,4]oxazine
CID 46938389
5-(3-Tosyloxypropyl)-3-(1-boc-2-(s)-pyrrolidinylmethoxy)pyridine
CID 87588945
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (CID 67990254) is tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2Cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3O2)CC1.
What is the InChIKey of tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is SIFJASGBCRJHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O5S/c1-24(2,3)32-23(28)27-9-7-15(8-10-27)21-12-16-11-20(26-14-22(16)31-21)18-6-5-17(13-19(18)25)33(4,29)30/h5-6,11,13-15,21H,7-10,12H2,1-4H3.
What are the key properties of tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 476.57 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 67990254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).