1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea

C16H23N3O4S — CID 69090436

IUPAC1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea
SMILESCCS(=O)(=O)c1ccc(NC(=O)NC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H23N3O4S/c1-3-24(22,23)15-6-4-13(5-7-15)17-16(21)18-14-8-10-19(11-9-14)12(2)20/h4-7,14H,3,8-11H2,1-2H3,(H2,17,18,21)
InChIKeyKVPDQMGXCXEIRS-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.61
Rot. Bonds4

About 1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea

1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea (PubChem CID 69090436) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea
PubChem CID69090436
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea
SMILESCCS(=O)(=O)c1ccc(NC(=O)NC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H23N3O4S/c1-3-24(22,23)15-6-4-13(5-7-15)17-16(21)18-14-8-10-19(11-9-14)12(2)20/h4-7,14H,3,8-11H2,1-2H3,(H2,17,18,21)
InChIKeyKVPDQMGXCXEIRS-UHFFFAOYSA-N
XLogP1.61
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea
CID 25069812
1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
CID 47193624
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 155962922
1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
CID 47200172
1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
CID 115617892
ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108865690
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
CID 110369688
1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea
CID 75403294
N-[4-[4-[(2-methoxyphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612547

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea (CID 69090436) is 1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea is CCS(=O)(=O)c1ccc(NC(=O)NC2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea?
The InChIKey is KVPDQMGXCXEIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-3-24(22,23)15-6-4-13(5-7-15)17-16(21)18-14-8-10-19(11-9-14)12(2)20/h4-7,14H,3,8-11H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea has a molecular weight of 353.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea is sourced from PubChem (CID 69090436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).