1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide

C12H22F2N2O3S — CID 136539815

IUPAC1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)C1CCN(CC(F)F)CC1
InChIInChI=1S/C12H22F2N2O3S/c1-9(8-20(2,18)19)15-12(17)10-3-5-16(6-4-10)7-11(13)14/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyLXSMMRUGNBKJID-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.51
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide

1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide (PubChem CID 136539815) has the molecular formula C12H22F2N2O3S and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide
PubChem CID136539815
Molecular FormulaC12H22F2N2O3S
Molecular Weight312.38 g/mol
Exact Mass312.13
IUPAC Name1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)C1CCN(CC(F)F)CC1
InChIInChI=1S/C12H22F2N2O3S/c1-9(8-20(2,18)19)15-12(17)10-3-5-16(6-4-10)7-11(13)14/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyLXSMMRUGNBKJID-UHFFFAOYSA-N
XLogP0.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide (CID 136539815) is 1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide is CC(CS(C)(=O)=O)NC(=O)C1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide?
The InChIKey is LXSMMRUGNBKJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O3S/c1-9(8-20(2,18)19)15-12(17)10-3-5-16(6-4-10)7-11(13)14/h9-11H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide?
1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(1-methylsulfonylpropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 136539815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).