N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide

C13H22F3N3O3S — CID 47765622

IUPACN-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H22F3N3O3S/c1-23(21,22)19-7-3-5-11(9-19)17-12(20)18-6-2-4-10(8-18)13(14,15)16/h10-11H,2-9H2,1H3,(H,17,20)
InChIKeyGIVUROYLQZWALP-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.39
Rot. Bonds2

About N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide

N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 47765622) has the molecular formula C13H22F3N3O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID47765622
Molecular FormulaC13H22F3N3O3S
Molecular Weight357.40 g/mol
Exact Mass357.13
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H22F3N3O3S/c1-23(21,22)19-7-3-5-11(9-19)17-12(20)18-6-2-4-10(8-18)13(14,15)16/h10-11H,2-9H2,1H3,(H,17,20)
InChIKeyGIVUROYLQZWALP-UHFFFAOYSA-N
XLogP1.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide (CID 47765622) is N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)N2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is GIVUROYLQZWALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O3S/c1-23(21,22)19-7-3-5-11(9-19)17-12(20)18-6-2-4-10(8-18)13(14,15)16/h10-11H,2-9H2,1H3,(H,17,20).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 47765622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).