1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone

C15H19NO4S — CID 63845358

IUPAC1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(C)=O)cc1
InChIInChI=1S/C15H19NO4S/c1-11(17)13-6-8-14(9-7-13)21(19,20)16-10-4-3-5-15(16)12(2)18/h6-9,15H,3-5,10H2,1-2H3
InChIKeyCKTZZYFLFQEMKV-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.02
Rot. Bonds4

About 1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone

1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone (PubChem CID 63845358) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
PubChem CID63845358
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(C)=O)cc1
InChIInChI=1S/C15H19NO4S/c1-11(17)13-6-8-14(9-7-13)21(19,20)16-10-4-3-5-15(16)12(2)18/h6-9,15H,3-5,10H2,1-2H3
InChIKeyCKTZZYFLFQEMKV-UHFFFAOYSA-N
XLogP2.02
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxopropyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42978293
methyl 1-(4-acetylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 3866930
1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119502993
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone
CID 63846556
(4,6-diamino-1,3,5-triazin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 55391923
1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 55335097
1-[4-[[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]phenyl]ethanone
CID 100895817
1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-2-carboxylic acid
CID 45307785
1-(4-acetylphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-2-carboxamide
CID 55359494
(4-nitrophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42990335
1-(4-acetylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-2-carboxamide
CID 55333838
1-(4-acetylphenyl)sulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-2-carboxamide
CID 55924143

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone (CID 63845358) is 1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(C)=O)cc1.
What is the InChIKey of 1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone?
The InChIKey is CKTZZYFLFQEMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-11(17)13-6-8-14(9-7-13)21(19,20)16-10-4-3-5-15(16)12(2)18/h6-9,15H,3-5,10H2,1-2H3.
What are the key properties of 1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone?
1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone has a molecular weight of 309.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone is sourced from PubChem (CID 63845358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).