N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide

C22H29F3N2O3 — CID 47071515

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)C(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C22H29F3N2O3/c23-22(24,25)15-30-19(16-7-3-1-4-8-16)20(28)26-18-11-13-27(14-12-18)21(29)17-9-5-2-6-10-17/h1,3-4,7-8,17-19H,2,5-6,9-15H2,(H,26,28)
InChIKeyRABRVWBYVFLKCB-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.99
Rot. Bonds6

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 47071515) has the molecular formula C22H29F3N2O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID47071515
Molecular FormulaC22H29F3N2O3
Molecular Weight426.48 g/mol
Exact Mass426.21
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)C(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C22H29F3N2O3/c23-22(24,25)15-30-19(16-7-3-1-4-8-16)20(28)26-18-11-13-27(14-12-18)21(29)17-9-5-2-6-10-17/h1,3-4,7-8,17-19H,2,5-6,9-15H2,(H,26,28)
InChIKeyRABRVWBYVFLKCB-UHFFFAOYSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 47071515) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide is O=C(NC1CCN(C(=O)C2CCCCC2)CC1)C(OCC(F)(F)F)c1ccccc1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is RABRVWBYVFLKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O3/c23-22(24,25)15-30-19(16-7-3-1-4-8-16)20(28)26-18-11-13-27(14-12-18)21(29)17-9-5-2-6-10-17/h1,3-4,7-8,17-19H,2,5-6,9-15H2,(H,26,28).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 426.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 47071515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).