1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide

C16H22F2N2O3S — CID 49431230

IUPAC1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1
InChIInChI=1S/C16H22F2N2O3S/c1-2-9-19-15(21)12-4-3-10-20(11-12)13-5-7-14(8-6-13)24(22,23)16(17)18/h5-8,12,16H,2-4,9-11H2,1H3,(H,19,21)
InChIKeyYBNADTYXMHCTIT-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.43
Rot. Bonds6

About 1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide

1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide (PubChem CID 49431230) has the molecular formula C16H22F2N2O3S and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide
PubChem CID49431230
Molecular FormulaC16H22F2N2O3S
Molecular Weight360.43 g/mol
Exact Mass360.13
IUPAC Name1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1
InChIInChI=1S/C16H22F2N2O3S/c1-2-9-19-15(21)12-4-3-10-20(11-12)13-5-7-14(8-6-13)24(22,23)16(17)18/h5-8,12,16H,2-4,9-11H2,1H3,(H,19,21)
InChIKeyYBNADTYXMHCTIT-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethylsulfonyl)phenyl]-3-ethoxypiperidine
CID 133274305
N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide
CID 49431253
1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid
CID 45156917
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine
CID 63852993
1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid
CID 43453928
[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
CID 47054198
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 51152969
(3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide
CID 96538691
1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide
CID 50842371
N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384657
1-(4-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331690

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide (CID 49431230) is 1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1.
What is the InChIKey of 1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is YBNADTYXMHCTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3S/c1-2-9-19-15(21)12-4-3-10-20(11-12)13-5-7-14(8-6-13)24(22,23)16(17)18/h5-8,12,16H,2-4,9-11H2,1H3,(H,19,21).
What are the key properties of 1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide?
1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 49431230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).