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

C15H21N3O4S — CID 25069812

IUPAC1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H21N3O4S/c1-11(19)18-9-7-13(8-10-18)17-15(20)16-12-3-5-14(6-4-12)23(2,21)22/h3-6,13H,7-10H2,1-2H3,(H2,16,17,20)
InChIKeyNNGBAKLZTXSUIW-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.22
Rot. Bonds3

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

1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea (PubChem CID 25069812) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea
PubChem CID25069812
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H21N3O4S/c1-11(19)18-9-7-13(8-10-18)17-15(20)16-12-3-5-14(6-4-12)23(2,21)22/h3-6,13H,7-10H2,1-2H3,(H2,16,17,20)
InChIKeyNNGBAKLZTXSUIW-UHFFFAOYSA-N
XLogP1.22
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea
CID 69090436
1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
CID 115617892
1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
CID 47193624
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
CID 110369688
(3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 95239711
4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55665995
1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea
CID 75403294
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 154114146
4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine
CID 118566531

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea (CID 25069812) is 1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea is CC(=O)N1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea?
The InChIKey is NNGBAKLZTXSUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11(19)18-9-7-13(8-10-18)17-15(20)16-12-3-5-14(6-4-12)23(2,21)22/h3-6,13H,7-10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea has a molecular weight of 339.42 g/mol, XLogP of 1.22, 3 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-methylsulfonylphenyl)urea is sourced from PubChem (CID 25069812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).