6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide

C13H13F3N2O2S — CID 76871986

IUPAC6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(SC(F)(F)F)cc2)CN1
InChIInChI=1S/C13H13F3N2O2S/c14-13(15,16)21-10-4-2-9(3-5-10)18-12(20)8-1-6-11(19)17-7-8/h2-5,8H,1,6-7H2,(H,17,19)(H,18,20)
InChIKeyKGIGKIQRXBRNMW-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.76
Rot. Bonds3

About 6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide

6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide (PubChem CID 76871986) has the molecular formula C13H13F3N2O2S and a molecular weight of 318.32 g/mol. Its IUPAC name is 6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
PubChem CID76871986
Molecular FormulaC13H13F3N2O2S
Molecular Weight318.32 g/mol
Exact Mass318.06
IUPAC Name6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(SC(F)(F)F)cc2)CN1
InChIInChI=1S/C13H13F3N2O2S/c14-13(15,16)21-10-4-2-9(3-5-10)18-12(20)8-1-6-11(19)17-7-8/h2-5,8H,1,6-7H2,(H,17,19)(H,18,20)
InChIKeyKGIGKIQRXBRNMW-UHFFFAOYSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 116700756
5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 83192913
4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxamide
CID 79389152
(3S)-6-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperidine-3-carboxamide
CID 99591065
N-[4-(trifluoromethylsulfanyl)phenyl]azepane-2-carboxamide
CID 64563218
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide
CID 112732263

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide (CID 76871986) is 6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide is O=C1CCC(C(=O)Nc2ccc(SC(F)(F)F)cc2)CN1.
What is the InChIKey of 6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide?
The InChIKey is KGIGKIQRXBRNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2S/c14-13(15,16)21-10-4-2-9(3-5-10)18-12(20)8-1-6-11(19)17-7-8/h2-5,8H,1,6-7H2,(H,17,19)(H,18,20).
What are the key properties of 6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide?
6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide has a molecular weight of 318.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 76871986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).