2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate

C24H27F3N2O3 — CID 46680385

IUPAC2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C24H27F3N2O3/c25-24(26,27)17-32-23(31)29-15-12-20(13-16-29)22(30)28-14-11-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,28,30)
InChIKeyQFAGMNSAOWRELN-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.74
Rot. Bonds7

About 2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate

2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate (PubChem CID 46680385) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate
PubChem CID46680385
Molecular FormulaC24H27F3N2O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C24H27F3N2O3/c25-24(26,27)17-32-23(31)29-15-12-20(13-16-29)22(30)28-14-11-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,28,30)
InChIKeyQFAGMNSAOWRELN-UHFFFAOYSA-N
XLogP4.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(4-phenylpiperidin-1-yl)ethyl)pent-4-enamide
CID 44415927
N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(4-phenylpiperidin-1-yl)ethyl)pent-4-enamide
CID 44447436
Isopropyl 4-(1-(2-(2,3,6-trifluorophenyl)acetamido)propan-2-yl)piperidine-1-carboxylate
CID 53318502
Tert-butyl 4-(1-(2-(2,6-difluorophenyl)acetamido)propan-2-yl)piperidine-1-carboxylate
CID 53321124
Tert-butyl 4-(1-(2-(2,5-difluorophenyl)acetamido)propan-2-yl)piperidine-1-carboxylate
CID 53322450
Tert-butyl 4-(1-(2-(2,3-difluorophenyl)acetamido)propan-2-yl)piperidine-1-carboxylate
CID 53323811
Isopropyl 4-(2-(2-(2,3,6-trifluorophenyl)acetamido)ethyl)piperidine-1-carboxylate
CID 53325083
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenylethyl)piperidine-4-carboxamide
CID 56658276
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 56658278
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 56658279
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 56661771
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 56661773

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate (CID 46680385) is 2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate is O=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is QFAGMNSAOWRELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c25-24(26,27)17-32-23(31)29-15-12-20(13-16-29)22(30)28-14-11-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,28,30).
What are the key properties of 2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate?
2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 448.49 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 46680385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).