(2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine

C23H29FN2O3S — CID 71598836

IUPAC(2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
SMILESCC(C)(F)CN1CCC([C@H]2Cc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc3O2)CC1
InChIInChI=1S/C23H29FN2O3S/c1-23(2,24)15-26-10-8-17(9-11-26)21-13-18-12-20(25-14-22(18)29-21)16-4-6-19(7-5-16)30(3,27)28/h4-7,12,14,17,21H,8-11,13,15H2,1-3H3/t21-/m1/s1
InChIKeyLCGVMEICVBYTBW-OAQYLSRUSA-N
MW432.56 g/mol
LogP3.92
Rot. Bonds5

About (2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine

(2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine (PubChem CID 71598836) has the molecular formula C23H29FN2O3S and a molecular weight of 432.56 g/mol. Its IUPAC name is (2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine.

Molecular Properties

Compound Name(2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
PubChem CID71598836
Molecular FormulaC23H29FN2O3S
Molecular Weight432.56 g/mol
Exact Mass432.19
IUPAC Name(2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
SMILESCC(C)(F)CN1CCC([C@H]2Cc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc3O2)CC1
InChIInChI=1S/C23H29FN2O3S/c1-23(2,24)15-26-10-8-17(9-11-26)21-13-18-12-20(25-14-22(18)29-21)16-4-6-19(7-5-16)30(3,27)28/h4-7,12,14,17,21H,8-11,13,15H2,1-3H3/t21-/m1/s1
InChIKeyLCGVMEICVBYTBW-OAQYLSRUSA-N
XLogP3.92
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
The IUPAC name of (2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine (CID 71598836) is (2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine.
What is the SMILES notation for (2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
The canonical SMILES for (2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine is CC(C)(F)CN1CCC([C@H]2Cc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc3O2)CC1.
What is the InChIKey of (2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
The InChIKey is LCGVMEICVBYTBW-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29FN2O3S/c1-23(2,24)15-26-10-8-17(9-11-26)21-13-18-12-20(25-14-22(18)29-21)16-4-6-19(7-5-16)30(3,27)28/h4-7,12,14,17,21H,8-11,13,15H2,1-3H3/t21-/m1/s1.
What are the key properties of (2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine?
(2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine has a molecular weight of 432.56 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine is sourced from PubChem (CID 71598836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).