N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide

C25H35F3N2O6S — CID 143045211

IUPACN-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide
SMILESO=C(NOC1CCCCO1)C1(S(=O)N2CCC(COCc3ccc(C(F)(F)F)cc3)CC2)CCOCC1
InChIInChI=1S/C25H35F3N2O6S/c26-25(27,28)21-6-4-19(5-7-21)17-34-18-20-8-12-30(13-9-20)37(32)24(10-15-33-16-11-24)23(31)29-36-22-3-1-2-14-35-22/h4-7,20,22H,1-3,8-18H2,(H,29,31)
InChIKeyLQMOCEIZMNCQNJ-UHFFFAOYSA-N
MW548.62 g/mol
LogP3.72
Rot. Bonds9

About N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide

N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide (PubChem CID 143045211) has the molecular formula C25H35F3N2O6S and a molecular weight of 548.62 g/mol. Its IUPAC name is N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide
PubChem CID143045211
Molecular FormulaC25H35F3N2O6S
Molecular Weight548.62 g/mol
Exact Mass548.22
IUPAC NameN-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide
SMILESO=C(NOC1CCCCO1)C1(S(=O)N2CCC(COCc3ccc(C(F)(F)F)cc3)CC2)CCOCC1
InChIInChI=1S/C25H35F3N2O6S/c26-25(27,28)21-6-4-19(5-7-21)17-34-18-20-8-12-30(13-9-20)37(32)24(10-15-33-16-11-24)23(31)29-36-22-3-1-2-14-35-22/h4-7,20,22H,1-3,8-18H2,(H,29,31)
InChIKeyLQMOCEIZMNCQNJ-UHFFFAOYSA-N
XLogP3.72
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.62
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidin-1-yl]sulfinyloxane-4-carboxamide
CID 142825223
(oxan-2-yloxyamino)-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]sulfonylphenyl]methanol
CID 162577740
4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 71784917
N-(oxan-2-yloxy)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfinylbenzamide
CID 142096192
4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide
CID 142824899
4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
CID 95322508
N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 158229691
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidine
CID 10151573
(E)-3-[4-[[6-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-5-oxo-7,8-dihydronaphthalen-2-yl]oxymethyl]phenyl]-N-(oxan-2-yloxy)prop-2-enamide
CID 155168268
N-(oxan-2-yloxy)-5-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 58657284
2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide;oxalic acid
CID 71785004
(1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide
CID 154865294

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide?
The IUPAC name of N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide (CID 143045211) is N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide.
What is the SMILES notation for N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide?
The canonical SMILES for N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide is O=C(NOC1CCCCO1)C1(S(=O)N2CCC(COCc3ccc(C(F)(F)F)cc3)CC2)CCOCC1.
What is the InChIKey of N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide?
The InChIKey is LQMOCEIZMNCQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F3N2O6S/c26-25(27,28)21-6-4-19(5-7-21)17-34-18-20-8-12-30(13-9-20)37(32)24(10-15-33-16-11-24)23(31)29-36-22-3-1-2-14-35-22/h4-7,20,22H,1-3,8-18H2,(H,29,31).
What are the key properties of N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide?
N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide has a molecular weight of 548.62 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-yloxy)-4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfinyloxane-4-carboxamide is sourced from PubChem (CID 143045211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).