1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one

C15H20ClNO3S — CID 79611252

IUPAC1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
SMILESCS(=O)(=O)N1CCCC(CC(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO3S/c1-21(19,20)17-8-2-3-13(11-17)10-15(18)9-12-4-6-14(16)7-5-12/h4-7,13H,2-3,8-11H2,1H3
InChIKeyRSKNQSPDZANBJZ-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.51
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one

1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one (PubChem CID 79611252) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
PubChem CID79611252
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
SMILESCS(=O)(=O)N1CCCC(CC(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO3S/c1-21(19,20)17-8-2-3-13(11-17)10-15(18)9-12-4-6-14(16)7-5-12/h4-7,13H,2-3,8-11H2,1H3
InChIKeyRSKNQSPDZANBJZ-UHFFFAOYSA-N
XLogP2.51
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604875
4,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79611561
N-[[4-(chloromethyl)phenyl]methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 107232938
1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 116562490
1-(4-aminophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116548748
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 107967700
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
1-cyclohexylidene-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 103458009
4,5,5-trimethyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one
CID 115784270
1-(4-chloro-2-ethylphenyl)-3-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 126445081
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116600281

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one (CID 79611252) is 1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one is CS(=O)(=O)N1CCCC(CC(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one?
The InChIKey is RSKNQSPDZANBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-21(19,20)17-8-2-3-13(11-17)10-15(18)9-12-4-6-14(16)7-5-12/h4-7,13H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one?
1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one has a molecular weight of 329.85 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one is sourced from PubChem (CID 79611252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).