2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide

C15H22N2O5S — CID 108560076

IUPAC2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22N2O5S/c1-11(22-14-5-3-13(18)4-6-14)15(19)16-12-7-9-17(10-8-12)23(2,20)21/h3-6,11-12,18H,7-10H2,1-2H3,(H,16,19)
InChIKeyOJTDBDKHXWWTGQ-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.70
Rot. Bonds5

About 2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide

2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide (PubChem CID 108560076) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
PubChem CID108560076
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22N2O5S/c1-11(22-14-5-3-13(18)4-6-14)15(19)16-12-7-9-17(10-8-12)23(2,20)21/h3-6,11-12,18H,7-10H2,1-2H3,(H,16,19)
InChIKeyOJTDBDKHXWWTGQ-UHFFFAOYSA-N
XLogP0.70
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108560040
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108560042
N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108560062
2-(4-hydroxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 108568120
2-(4-hydroxyphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108551204
2-(4-hydroxyphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]propanamide
CID 108560077
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
2-(4-hydroxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]propanamide
CID 108551157
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide
CID 95397525
N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide
CID 51174549
2-(4-hydroxyphenoxy)-N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]propanamide
CID 108560056
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551181

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide (CID 108560076) is 2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide is CC(Oc1ccc(O)cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is OJTDBDKHXWWTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-11(22-14-5-3-13(18)4-6-14)15(19)16-12-7-9-17(10-8-12)23(2,20)21/h3-6,11-12,18H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 342.42 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 108560076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).