[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone

C19H22N2O4S — CID 56752741

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)nc1
InChIInChI=1S/C19H22N2O4S/c1-14-6-7-17(20-13-14)19(23)8-10-21(11-9-19)18(22)15-4-3-5-16(12-15)26(2,24)25/h3-7,12-13,23H,8-11H2,1-2H3
InChIKeyYWYPISLPNJJWAJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.92
Rot. Bonds3

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 56752741) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID56752741
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)nc1
InChIInChI=1S/C19H22N2O4S/c1-14-6-7-17(20-13-14)19(23)8-10-21(11-9-19)18(22)15-4-3-5-16(12-15)26(2,24)25/h3-7,12-13,23H,8-11H2,1-2H3
InChIKeyYWYPISLPNJJWAJ-UHFFFAOYSA-N
XLogP1.92
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone (CID 56752741) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone is Cc1ccc(C2(O)CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)nc1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is YWYPISLPNJJWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-6-7-17(20-13-14)19(23)8-10-21(11-9-19)18(22)15-4-3-5-16(12-15)26(2,24)25/h3-7,12-13,23H,8-11H2,1-2H3.
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone has a molecular weight of 374.46 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 56752741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).