N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

C20H28F3N3O5S — CID 55665837

IUPACN-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H28F3N3O5S/c1-13(2)11-17(19(28)24-3)25-18(27)14-7-9-26(10-8-14)32(29,30)16-6-4-5-15(12-16)31-20(21,22)23/h4-6,12-14,17H,7-11H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyAWOOZSFBZBRXHT-UHFFFAOYSA-N
MW479.52 g/mol
LogP2.26
Rot. Bonds8

About N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 55665837) has the molecular formula C20H28F3N3O5S and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID55665837
Molecular FormulaC20H28F3N3O5S
Molecular Weight479.52 g/mol
Exact Mass479.17
IUPAC NameN-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H28F3N3O5S/c1-13(2)11-17(19(28)24-3)25-18(27)14-7-9-26(10-8-14)32(29,30)16-6-4-5-15(12-16)31-20(21,22)23/h4-6,12-14,17H,7-11H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyAWOOZSFBZBRXHT-UHFFFAOYSA-N
XLogP2.26
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46673499
N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46642653
N-(1-propylpiperidin-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55543864
N-[(1S,2R)-2-methylcyclohexyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 25497341
1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide
CID 55665895
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 32896788
ethyl 2-[propan-2-yl-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]amino]acetate
CID 55984933
N-[(2,4-dimethylphenyl)methyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55582473
N-pyridin-2-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 25332101
N-(5-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 32697328
N-(2,3-dimethylcyclohexyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46541045
N-(2-methoxyethyl)-N-[(2S)-1-methoxypropan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 51966637

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (CID 55665837) is N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is CNC(=O)C(CC(C)C)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is AWOOZSFBZBRXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O5S/c1-13(2)11-17(19(28)24-3)25-18(27)14-7-9-26(10-8-14)32(29,30)16-6-4-5-15(12-16)31-20(21,22)23/h4-6,12-14,17H,7-11H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55665837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).