3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide

C14H24F2N2O3S — CID 75376773

IUPAC3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCC1CCC1)NCC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C14H24F2N2O3S/c15-14(16)22(20,21)18-8-6-12(7-9-18)10-17-13(19)5-4-11-2-1-3-11/h11-12,14H,1-10H2,(H,17,19)
InChIKeyALAXYDZAGMGLHK-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.95
Rot. Bonds7

About 3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide

3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide (PubChem CID 75376773) has the molecular formula C14H24F2N2O3S and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide
PubChem CID75376773
Molecular FormulaC14H24F2N2O3S
Molecular Weight338.42 g/mol
Exact Mass338.15
IUPAC Name3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCC1CCC1)NCC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C14H24F2N2O3S/c15-14(16)22(20,21)18-8-6-12(7-9-18)10-17-13(19)5-4-11-2-1-3-11/h11-12,14H,1-10H2,(H,17,19)
InChIKeyALAXYDZAGMGLHK-UHFFFAOYSA-N
XLogP1.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide (CID 75376773) is 3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide is O=C(CCC1CCC1)NCC1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is ALAXYDZAGMGLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O3S/c15-14(16)22(20,21)18-8-6-12(7-9-18)10-17-13(19)5-4-11-2-1-3-11/h11-12,14H,1-10H2,(H,17,19).
What are the key properties of 3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide?
3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 338.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 75376773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).