1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide

C15H20FN3O4S — CID 126031859

IUPAC1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccccc1F
InChIInChI=1S/C15H20FN3O4S/c1-24(22,23)19(13-5-3-2-4-12(13)16)10-14(20)18-8-6-11(7-9-18)15(17)21/h2-5,11H,6-10H2,1H3,(H2,17,21)
InChIKeySREHJDYWNOHSIU-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.32
Rot. Bonds5

About 1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide

1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide (PubChem CID 126031859) has the molecular formula C15H20FN3O4S and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
PubChem CID126031859
Molecular FormulaC15H20FN3O4S
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC Name1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccccc1F
InChIInChI=1S/C15H20FN3O4S/c1-24(22,23)19(13-5-3-2-4-12(13)16)10-14(20)18-8-6-11(7-9-18)15(17)21/h2-5,11H,6-10H2,1H3,(H2,17,21)
InChIKeySREHJDYWNOHSIU-UHFFFAOYSA-N
XLogP0.32
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide 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

1-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]piperidine-4-carboxamide
CID 92684224
1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide
CID 126035425
1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 30267650
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]piperidine-4-carboxamide
CID 30267622
1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 1251616
1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 2928967
N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
CID 113154693
ethyl 1-[2-(2-methoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076344
ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076442
N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113157562
1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide
CID 6500036
ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
CID 30267760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide (CID 126031859) is 1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide is CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide?
The InChIKey is SREHJDYWNOHSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4S/c1-24(22,23)19(13-5-3-2-4-12(13)16)10-14(20)18-8-6-11(7-9-18)15(17)21/h2-5,11H,6-10H2,1H3,(H2,17,21).
What are the key properties of 1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide?
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 126031859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).