ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate

C16H20F2N2O3S — CID 24644251

IUPACethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccccc2SC(F)F)CC1
InChIInChI=1S/C16H20F2N2O3S/c1-2-23-16(22)20-9-7-11(8-10-20)19-14(21)12-5-3-4-6-13(12)24-15(17)18/h3-6,11,15H,2,7-10H2,1H3,(H,19,21)
InChIKeyQCYBKTBLAMFXFN-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.35
Rot. Bonds5

About ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 24644251) has the molecular formula C16H20F2N2O3S and a molecular weight of 358.41 g/mol. Its IUPAC name is ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID24644251
Molecular FormulaC16H20F2N2O3S
Molecular Weight358.41 g/mol
Exact Mass358.12
IUPAC Nameethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccccc2SC(F)F)CC1
InChIInChI=1S/C16H20F2N2O3S/c1-2-23-16(22)20-9-7-11(8-10-20)19-14(21)12-5-3-4-6-13(12)24-15(17)18/h3-6,11,15H,2,7-10H2,1H3,(H,19,21)
InChIKeyQCYBKTBLAMFXFN-UHFFFAOYSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]piperidine-1-carboxylate
CID 33078699
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate
CID 36884910
ethyl 4-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]piperidine-1-carboxylate
CID 46491359
butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 108559345
2-(difluoromethylsulfanyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634865
ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate
CID 56893622
ethyl 4-[[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 24654691
2-methylpropyl 4-[(2-sulfanylbenzoyl)amino]piperidine-1-carboxylate
CID 108561614

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate (CID 24644251) is ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccccc2SC(F)F)CC1.
What is the InChIKey of ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is QCYBKTBLAMFXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3S/c1-2-23-16(22)20-9-7-11(8-10-20)19-14(21)12-5-3-4-6-13(12)24-15(17)18/h3-6,11,15H,2,7-10H2,1H3,(H,19,21).
What are the key properties of ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 358.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 24644251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).