2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide

C14H18F2N2O3S — CID 119426046

IUPAC2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide
SMILESO=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC1CCCNC1
InChIInChI=1S/C14H18F2N2O3S/c15-14(16)22(20,21)12-5-3-10(4-6-12)8-13(19)18-11-2-1-7-17-9-11/h3-6,11,14,17H,1-2,7-9H2,(H,18,19)
InChIKeyBNWJKZYJUMXFPB-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.09
Rot. Bonds5

About 2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide

2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide (PubChem CID 119426046) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide
PubChem CID119426046
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC Name2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide
SMILESO=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC1CCCNC1
InChIInChI=1S/C14H18F2N2O3S/c15-14(16)22(20,21)12-5-3-10(4-6-12)8-13(19)18-11-2-1-7-17-9-11/h3-6,11,14,17H,1-2,7-9H2,(H,18,19)
InChIKeyBNWJKZYJUMXFPB-UHFFFAOYSA-N
XLogP1.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide 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-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119425534
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide
CID 120601223
N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119620018
3-[4-(cyclopropylsulfamoyl)phenyl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424393
2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
CID 119451451
2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide
CID 94471135
4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461851
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951
2-(3-fluorophenyl)-N-piperidin-3-ylacetamide
CID 18071271
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide (CID 119426046) is 2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide is O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC1CCCNC1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide?
The InChIKey is BNWJKZYJUMXFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c15-14(16)22(20,21)12-5-3-10(4-6-12)8-13(19)18-11-2-1-7-17-9-11/h3-6,11,14,17H,1-2,7-9H2,(H,18,19).
What are the key properties of 2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide?
2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide has a molecular weight of 332.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide is sourced from PubChem (CID 119426046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).