1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide

C10H15F3N2O2S — CID 42959357

IUPAC1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide
SMILESCC(SC(F)(F)F)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H15F3N2O2S/c1-6(18-10(11,12)13)9(17)15-4-2-7(3-5-15)8(14)16/h6-7H,2-5H2,1H3,(H2,14,16)
InChIKeyDOGPDZGDMKJQDY-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.35
Rot. Bonds3

About 1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide

1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide (PubChem CID 42959357) has the molecular formula C10H15F3N2O2S and a molecular weight of 284.30 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide
PubChem CID42959357
Molecular FormulaC10H15F3N2O2S
Molecular Weight284.30 g/mol
Exact Mass284.08
IUPAC Name1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide
SMILESCC(SC(F)(F)F)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H15F3N2O2S/c1-6(18-10(11,12)13)9(17)15-4-2-7(3-5-15)8(14)16/h6-7H,2-5H2,1H3,(H2,14,16)
InChIKeyDOGPDZGDMKJQDY-UHFFFAOYSA-N
XLogP1.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide
CID 155289205
1-{2-[(Diethylamino)thioxomethylthio]acetyl}piperidine-4-carboxamide
CID 1863658
1-(4-Methylpiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone
CID 45815919
1-(2-(cyclopentylthio)acetyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676883
1-(2,2,2-Trifluoroacetyl)piperidine-4-carboxamide
CID 62491644
1-[(2R)-2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide
CID 40151220
1-[(2S)-2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide
CID 40151221
1-acetyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 47042761
1-acetyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49711960
1-[4-(3-Methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 55662238
N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 62727105
N-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 62735050

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide (CID 42959357) is 1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide is CC(SC(F)(F)F)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide?
The InChIKey is DOGPDZGDMKJQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2S/c1-6(18-10(11,12)13)9(17)15-4-2-7(3-5-15)8(14)16/h6-7H,2-5H2,1H3,(H2,14,16).
What are the key properties of 1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide?
1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide has a molecular weight of 284.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfanyl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 42959357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).