N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine

C18H24F3N3O4S — CID 90832721

IUPACN-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC=C(NOCC2CCNCC2)CC1
InChIInChI=1S/C18H24F3N3O4S/c19-18(20,21)28-16-1-3-17(4-2-16)29(25,26)24-11-7-15(8-12-24)23-27-13-14-5-9-22-10-6-14/h1-4,7,14,22-23H,5-6,8-13H2
InChIKeyRLYZQLUTWQSOFQ-UHFFFAOYSA-N
MW435.47 g/mol
LogP2.38
Rot. Bonds7

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

N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 90832721) has the molecular formula C18H24F3N3O4S and a molecular weight of 435.47 g/mol. Its IUPAC name is N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID90832721
Molecular FormulaC18H24F3N3O4S
Molecular Weight435.47 g/mol
Exact Mass435.14
IUPAC NameN-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC=C(NOCC2CCNCC2)CC1
InChIInChI=1S/C18H24F3N3O4S/c19-18(20,21)28-16-1-3-17(4-2-16)29(25,26)24-11-7-15(8-12-24)23-27-13-14-5-9-22-10-6-14/h1-4,7,14,22-23H,5-6,8-13H2
InChIKeyRLYZQLUTWQSOFQ-UHFFFAOYSA-N
XLogP2.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
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
N-(oxan-4-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 169422828
8-[4-(difluoromethoxy)phenyl]sulfonyl-N-(oxan-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 168996203
3-fluoro-N-((1-isopropylpiperidin-4-yl)methyl)-4-methoxybenzenesulfonamide
CID 16887541
3-fluoro-4-methoxy-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)benzenesulfonamide
CID 16887628
N-{[(3S*,4S*)-3-hydroxypiperidin-4-yl]methyl}-4-(trifluoromethoxy)benzenesulfonamide
CID 56886505
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 17520631
4-methoxy-N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998278
3-fluoro-4-methoxy-N-((1-methylpiperidin-4-yl)methyl)benzenesulfonamide
CID 16887454
4-ethoxy-3-fluoro-N-((1-isopropylpiperidin-4-yl)methyl)benzenesulfonamide
CID 16887578
N-((1-methylpiperidin-4-yl)methyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 45558342
N-(cyclopentylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine
CID 57992678

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine (CID 90832721) is N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC=C(NOCC2CCNCC2)CC1.
What is the InChIKey of N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is RLYZQLUTWQSOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O4S/c19-18(20,21)28-16-1-3-17(4-2-16)29(25,26)24-11-7-15(8-12-24)23-27-13-14-5-9-22-10-6-14/h1-4,7,14,22-23H,5-6,8-13H2.
What are the key properties of N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 435.47 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 90832721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).