N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C21H30F3N3O4S — CID 24638481

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C21H30F3N3O4S/c1-20(2,26-11-13-31-14-12-26)15-25-19(28)16-7-9-27(10-8-16)32(29,30)18-6-4-3-5-17(18)21(22,23)24/h3-6,16H,7-15H2,1-2H3,(H,25,28)
InChIKeyOSMSSDPSELAJGK-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.33
Rot. Bonds6

About N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 24638481) has the molecular formula C21H30F3N3O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID24638481
Molecular FormulaC21H30F3N3O4S
Molecular Weight477.55 g/mol
Exact Mass477.19
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C21H30F3N3O4S/c1-20(2,26-11-13-31-14-12-26)15-25-19(28)16-7-9-27(10-8-16)32(29,30)18-6-4-3-5-17(18)21(22,23)24/h3-6,16H,7-15H2,1-2H3,(H,25,28)
InChIKeyOSMSSDPSELAJGK-UHFFFAOYSA-N
XLogP2.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 9452268
N-[2-(cyclohexanecarbonylamino)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55806126
N-[(2-methylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27839070
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 46807174
N-(3-phenylprop-2-ynyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 17459265
N-(2,6-diethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26880378
N-(2-ethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26208452
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
N-(2-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46665454
N-[3-(N-ethylanilino)propyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55397868
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24573050
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 24638481) is N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is OSMSSDPSELAJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N3O4S/c1-20(2,26-11-13-31-14-12-26)15-25-19(28)16-7-9-27(10-8-16)32(29,30)18-6-4-3-5-17(18)21(22,23)24/h3-6,16H,7-15H2,1-2H3,(H,25,28).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24638481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).