tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate

C24H27F3N2O5 — CID 15952444

IUPACtert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C24H27F3N2O5/c1-23(2,3)34-22(31)29-14-12-16(13-15-29)21(30)28-19-6-4-5-7-20(19)32-17-8-10-18(11-9-17)33-24(25,26)27/h4-11,16H,12-15H2,1-3H3,(H,28,30)
InChIKeyUKIPNVDDOBZVSG-UHFFFAOYSA-N
MW480.48 g/mol
LogP5.96
Rot. Bonds5

About tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 15952444) has the molecular formula C24H27F3N2O5 and a molecular weight of 480.48 g/mol. Its IUPAC name is tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID15952444
Molecular FormulaC24H27F3N2O5
Molecular Weight480.48 g/mol
Exact Mass480.19
IUPAC Nametert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C24H27F3N2O5/c1-23(2,3)34-22(31)29-14-12-16(13-15-29)21(30)28-19-6-4-5-7-20(19)32-17-8-10-18(11-9-17)33-24(25,26)27/h4-11,16H,12-15H2,1-3H3,(H,28,30)
InChIKeyUKIPNVDDOBZVSG-UHFFFAOYSA-N
XLogP5.96
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.48
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[[2-[4-(1,1-difluoroethyl)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 143387902
tert-butyl 4-[[2-(3,5-dichlorophenoxy)phenyl]carbamoyl]piperidine-1-carboxylate
CID 15952943
tert-butyl (3R)-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 156743217
1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 31821899
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 9209463
1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 35750813
ethyl 4-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-1-carboxylate
CID 26289068
tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 17421893
1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide
CID 71227956
1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide
CID 55915074

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate (CID 15952444) is tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is UKIPNVDDOBZVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O5/c1-23(2,3)34-22(31)29-14-12-16(13-15-29)21(30)28-19-6-4-5-7-20(19)32-17-8-10-18(11-9-17)33-24(25,26)27/h4-11,16H,12-15H2,1-3H3,(H,28,30).
What are the key properties of tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 480.48 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 15952444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).