N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide

C15H22N2O3S — CID 51099310

IUPACN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(C)=O)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)15-6-4-14(5-7-15)17-10-8-13(9-11-17)16-12(2)18/h4-7,13H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyXXPAFTLWWQMURE-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.59
Rot. Bonds4

About N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide

N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide (PubChem CID 51099310) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide
PubChem CID51099310
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(C)=O)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)15-6-4-14(5-7-15)17-10-8-13(9-11-17)16-12(2)18/h4-7,13H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyXXPAFTLWWQMURE-UHFFFAOYSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide (CID 51099310) is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide is CCS(=O)(=O)c1ccc(N2CCC(NC(C)=O)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide?
The InChIKey is XXPAFTLWWQMURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-21(19,20)15-6-4-14(5-7-15)17-10-8-13(9-11-17)16-12(2)18/h4-7,13H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide?
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 51099310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).