N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine

C19H26F3N3O4S — CID 90728675

IUPACN-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCN1CCCC(CONC2=CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C19H26F3N3O4S/c1-24-10-2-3-15(13-24)14-28-23-16-8-11-25(12-9-16)30(26,27)18-6-4-17(5-7-18)29-19(20,21)22/h4-8,15,23H,2-3,9-14H2,1H3
InChIKeyLERHMNNESYVIGG-UHFFFAOYSA-N
MW449.50 g/mol
LogP2.73
Rot. Bonds7

About N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine

N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 90728675) has the molecular formula C19H26F3N3O4S and a molecular weight of 449.50 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID90728675
Molecular FormulaC19H26F3N3O4S
Molecular Weight449.50 g/mol
Exact Mass449.16
IUPAC NameN-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCN1CCCC(CONC2=CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C19H26F3N3O4S/c1-24-10-2-3-15(13-24)14-28-23-16-8-11-25(12-9-16)30(26,27)18-6-4-17(5-7-18)29-19(20,21)22/h4-8,15,23H,2-3,9-14H2,1H3
InChIKeyLERHMNNESYVIGG-UHFFFAOYSA-N
XLogP2.73
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.73
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

1'-((4-(Difluoromethoxy)phenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308421
1-[1-[4-(Difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine
CID 118314260
N-{[1-(2,2-dimethylpropyl)-3-piperidinyl]methyl}-4-methoxybenzenesulfonamide
CID 16188534
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 17520631
N-((1-methylpiperidin-4-yl)methyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 45558342
N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine
CID 24810900
1-(4-Trifluoromethoxybenzenesulfonyl)piperidin-4-one O-(1-methylpiperidin-3-ylmethyl)oxime
CID 57992607
1-(4-trifluoromethoxybenzenesulfonyl)piperidin-4-one O-piperidin-3-ylmethyloxime
CID 57992860
1-(4-Trifluoromethoxybenzenesulfonyl)piperidin-4-one O-(1-acetylpiperidin-3-ylmethyl)oxime
CID 57993009
N-(3-propyl-1,2,4,6-tetrahydro-3-benzazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 69549382
1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 90703266
tert-butyl 4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]piperidine-1-carboxylate
CID 90709929

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine (CID 90728675) is N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine is CN1CCCC(CONC2=CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is LERHMNNESYVIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O4S/c1-24-10-2-3-15(13-24)14-28-23-16-8-11-25(12-9-16)30(26,27)18-6-4-17(5-7-18)29-19(20,21)22/h4-8,15,23H,2-3,9-14H2,1H3.
What are the key properties of N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 449.50 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 90728675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).