tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate

C24H34F3N3O4 — CID 126674622

IUPACtert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C24H34F3N3O4/c1-23(2,3)34-22(32)30-13-11-18(12-14-30)33-20-10-9-16(24(25,26)27)15-19(20)29-21(31)28-17-7-5-4-6-8-17/h9-10,15,17-18H,4-8,11-14H2,1-3H3,(H2,28,29,31)
InChIKeyBRRFQBOBNKBFJF-UHFFFAOYSA-N
MW485.55 g/mol
LogP5.94
Rot. Bonds4

About tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate

tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate (PubChem CID 126674622) has the molecular formula C24H34F3N3O4 and a molecular weight of 485.55 g/mol. Its IUPAC name is tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
PubChem CID126674622
Molecular FormulaC24H34F3N3O4
Molecular Weight485.55 g/mol
Exact Mass485.25
IUPAC Nametert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C24H34F3N3O4/c1-23(2,3)34-22(32)30-13-11-18(12-14-30)33-20-10-9-16(24(25,26)27)15-19(20)29-21(31)28-17-7-5-4-6-8-17/h9-10,15,17-18H,4-8,11-14H2,1-3H3,(H2,28,29,31)
InChIKeyBRRFQBOBNKBFJF-UHFFFAOYSA-N
XLogP5.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-bromo-5-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 114042668
tert-butyl 3-[2-(ethoxycarbonylamino)-4-(trifluoromethyl)phenoxy]azetidine-1-carboxylate
CID 158329884
tert-butyl (3S)-3-[2-amino-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate
CID 126674607
1-cyclohexyl-3-[2-(oxetan-3-yloxy)-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-6-one
CID 145268924
1-[2-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxycyclohexyl]urea
CID 126674662
tert-butyl 4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 118120726
tert-butyl 4-[3-methoxycarbonyl-2-methyl-5-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 86719530
1-cyclohexyl-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea;3-(methoxymethyl)pyridine
CID 145268916
tert-butyl 4-[2-[2-(dicyanomethylidene)hydrazinyl]-4-fluorophenoxy]piperidine-1-carboxylate
CID 169339798
tert-butyl 4-(2-bromo-4-methylphenoxy)piperidine-1-carboxylate
CID 159393378
tert-butyl 4-[2-hydroxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118550893
tert-butyl 4-[[4-[difluoro(phosphanyl)methoxy]phenyl]carbamoylamino]piperidine-1-carboxylate
CID 178000564

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate (CID 126674622) is tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate?
The InChIKey is BRRFQBOBNKBFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N3O4/c1-23(2,3)34-22(32)30-13-11-18(12-14-30)33-20-10-9-16(24(25,26)27)15-19(20)29-21(31)28-17-7-5-4-6-8-17/h9-10,15,17-18H,4-8,11-14H2,1-3H3,(H2,28,29,31).
What are the key properties of tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate?
tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate has a molecular weight of 485.55 g/mol, XLogP of 5.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(cyclohexylcarbamoylamino)-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 126674622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).