4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide

C14H26F2N4O3S — CID 49123020

IUPAC4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)N2CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C14H26F2N4O3S/c1-2-24(22,23)20-5-3-12(4-6-20)17-14(21)19-9-7-18(8-10-19)11-13(15)16/h12-13H,2-11H2,1H3,(H,17,21)
InChIKeyXDKZRAKTURZOKU-UHFFFAOYSA-N
MW368.45 g/mol
LogP0.39
Rot. Bonds5

About 4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide

4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide (PubChem CID 49123020) has the molecular formula C14H26F2N4O3S and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide
PubChem CID49123020
Molecular FormulaC14H26F2N4O3S
Molecular Weight368.45 g/mol
Exact Mass368.17
IUPAC Name4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)N2CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C14H26F2N4O3S/c1-2-24(22,23)20-5-3-12(4-6-20)17-14(21)19-9-7-18(8-10-19)11-13(15)16/h12-13H,2-11H2,1H3,(H,17,21)
InChIKeyXDKZRAKTURZOKU-UHFFFAOYSA-N
XLogP0.39
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorocyclohexyl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 143176312
1-(1-Methylsulfonylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 36968026
1-(1-Methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 47400180
4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 47480492
N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 47765622
4-(2,2-difluoroethyl)-N-(1-methylsulfonylpiperidin-4-yl)piperazine-1-carboxamide
CID 49122657
N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylpiperidine-1-carboxamide
CID 128782279
N-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylpiperidine-1-carboxamide
CID 129347954
N-[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylpiperidine-1-carboxamide
CID 129347955
3-methyl-N-(4-methylsulfonylcyclohexyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 132289197
4-(2,2-difluoroethyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]piperazine-1-carboxamide
CID 132354680
3-fluoro-3-methyl-N-(1-propylsulfonylpiperidin-4-yl)piperidine-1-carboxamide
CID 137835102

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide (CID 49123020) is 4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)N2CCN(CC(F)F)CC2)CC1.
What is the InChIKey of 4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide?
The InChIKey is XDKZRAKTURZOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N4O3S/c1-2-24(22,23)20-5-3-12(4-6-20)17-14(21)19-9-7-18(8-10-19)11-13(15)16/h12-13H,2-11H2,1H3,(H,17,21).
What are the key properties of 4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide?
4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-N-(1-ethylsulfonylpiperidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 49123020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).