[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone

C25H32FN3O3S — CID 46069150

IUPAC[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCCC2C)c(C2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)n1
InChIInChI=1S/C25H32FN3O3S/c1-17-7-9-21(16-23(17)26)33(31,32)28-14-11-20(12-15-28)24-22(10-8-18(2)27-24)25(30)29-13-5-4-6-19(29)3/h7-10,16,19-20H,4-6,11-15H2,1-3H3
InChIKeyYSELARWCZSIJTO-UHFFFAOYSA-N
MW473.61 g/mol
LogP4.42
Rot. Bonds4

About [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone

[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 46069150) has the molecular formula C25H32FN3O3S and a molecular weight of 473.61 g/mol. Its IUPAC name is [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID46069150
Molecular FormulaC25H32FN3O3S
Molecular Weight473.61 g/mol
Exact Mass473.21
IUPAC Name[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCCC2C)c(C2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)n1
InChIInChI=1S/C25H32FN3O3S/c1-17-7-9-21(16-23(17)26)33(31,32)28-14-11-20(12-15-28)24-22(10-8-18(2)27-24)25(30)29-13-5-4-6-19(29)3/h7-10,16,19-20H,4-6,11-15H2,1-3H3
InChIKeyYSELARWCZSIJTO-UHFFFAOYSA-N
XLogP4.42
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone (CID 46069150) is [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCCCC2C)c(C2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)n1.
What is the InChIKey of [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is YSELARWCZSIJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O3S/c1-17-7-9-21(16-23(17)26)33(31,32)28-14-11-20(12-15-28)24-22(10-8-18(2)27-24)25(30)29-13-5-4-6-19(29)3/h7-10,16,19-20H,4-6,11-15H2,1-3H3.
What are the key properties of [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 473.61 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 46069150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).