1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone

C19H24F3N3O5S — CID 123933997

IUPAC1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone
SMILESO=C(CONC1=CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)N1CCCCC1
InChIInChI=1S/C19H24F3N3O5S/c20-19(21,22)30-16-4-6-17(7-5-16)31(27,28)25-12-8-15(9-13-25)23-29-14-18(26)24-10-2-1-3-11-24/h4-8,23H,1-3,9-14H2
InChIKeyPLRBFLJCDXCBDF-UHFFFAOYSA-N
MW463.48 g/mol
LogP2.40
Rot. Bonds7

About 1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone

1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone (PubChem CID 123933997) has the molecular formula C19H24F3N3O5S and a molecular weight of 463.48 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone
PubChem CID123933997
Molecular FormulaC19H24F3N3O5S
Molecular Weight463.48 g/mol
Exact Mass463.14
IUPAC Name1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone
SMILESO=C(CONC1=CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)N1CCCCC1
InChIInChI=1S/C19H24F3N3O5S/c20-19(21,22)30-16-4-6-17(7-5-16)31(27,28)25-12-8-15(9-13-25)23-29-14-18(26)24-10-2-1-3-11-24/h4-8,23H,1-3,9-14H2
InChIKeyPLRBFLJCDXCBDF-UHFFFAOYSA-N
XLogP2.40
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
CID 90980833
1-methyl-3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one
CID 90921266
6-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridine-2-carbonitrile
CID 91163080
1-(4-fluorophenyl)-5-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one
CID 91476706
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
[2-(azepan-1-yl)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 134016562
N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
CID 91295415
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-(trifluoromethoxy)benzoate
CID 16526287
N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide
CID 24544072
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(azepan-1-ylsulfonyl)benzoate
CID 2557964
[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
CID 62373102
N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
CID 58378610

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone?
The IUPAC name of 1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone (CID 123933997) is 1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone is O=C(CONC1=CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone?
The InChIKey is PLRBFLJCDXCBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O5S/c20-19(21,22)30-16-4-6-17(7-5-16)31(27,28)25-12-8-15(9-13-25)23-29-14-18(26)24-10-2-1-3-11-24/h4-8,23H,1-3,9-14H2.
What are the key properties of 1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone?
1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone has a molecular weight of 463.48 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethanone is sourced from PubChem (CID 123933997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).