1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide

C17H21F3N2O2S — CID 78889326

IUPAC1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccccc2SC(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O2S/c1-11(2)16(24)22-9-7-12(8-10-22)15(23)21-13-5-3-4-6-14(13)25-17(18,19)20/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)
InChIKeyRFXGSFATZSUTTI-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.13
Rot. Bonds4

About 1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide (PubChem CID 78889326) has the molecular formula C17H21F3N2O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
PubChem CID78889326
Molecular FormulaC17H21F3N2O2S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC Name1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccccc2SC(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O2S/c1-11(2)16(24)22-9-7-12(8-10-22)15(23)21-13-5-3-4-6-14(13)25-17(18,19)20/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)
InChIKeyRFXGSFATZSUTTI-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 31821899
(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 120620303
N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31783205
1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314721
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119706959
N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775816
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31816573
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 30747986

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide (CID 78889326) is 1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)Nc2ccccc2SC(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide?
The InChIKey is RFXGSFATZSUTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2S/c1-11(2)16(24)22-9-7-12(8-10-22)15(23)21-13-5-3-4-6-14(13)25-17(18,19)20/h3-6,11-12H,7-10H2,1-2H3,(H,21,23).
What are the key properties of 1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 78889326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).