1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone

C14H18F2N2OS — CID 43779000

IUPAC1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C14H18F2N2OS/c1-10(19)18-8-6-12(7-9-18)17-11-2-4-13(5-3-11)20-14(15)16/h2-5,12,14,17H,6-9H2,1H3
InChIKeyCDHRZQQLTSWFIX-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.42
Rot. Bonds4

About 1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone

1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone (PubChem CID 43779000) has the molecular formula C14H18F2N2OS and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone
PubChem CID43779000
Molecular FormulaC14H18F2N2OS
Molecular Weight300.37 g/mol
Exact Mass300.11
IUPAC Name1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C14H18F2N2OS/c1-10(19)18-8-6-12(7-9-18)17-11-2-4-13(5-3-11)20-14(15)16/h2-5,12,14,17H,6-9H2,1H3
InChIKeyCDHRZQQLTSWFIX-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 47031736
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine
CID 43673068
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
CID 43774274
1-[4-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]piperazin-1-yl]ethanone
CID 52895268
1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone
CID 103825805
1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone
CID 62810559
1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
CID 43764958
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide
CID 75476343
N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 38817744

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone (CID 43779000) is 1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ccc(SC(F)F)cc2)CC1.
What is the InChIKey of 1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone?
The InChIKey is CDHRZQQLTSWFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2OS/c1-10(19)18-8-6-12(7-9-18)17-11-2-4-13(5-3-11)20-14(15)16/h2-5,12,14,17H,6-9H2,1H3.
What are the key properties of 1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone?
1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone has a molecular weight of 300.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43779000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).