2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

C17H31F3N2O2 — CID 78903326

IUPAC2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)COC1CCN(CC(=O)N(CC(C)C)CC(F)(F)F)CC1
InChIInChI=1S/C17H31F3N2O2/c1-13(2)9-22(12-17(18,19)20)16(23)10-21-7-5-15(6-8-21)24-11-14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyUHRVJQIPMVMTRQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.17
Rot. Bonds8

About 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78903326) has the molecular formula C17H31F3N2O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78903326
Molecular FormulaC17H31F3N2O2
Molecular Weight352.44 g/mol
Exact Mass352.23
IUPAC Name2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)COC1CCN(CC(=O)N(CC(C)C)CC(F)(F)F)CC1
InChIInChI=1S/C17H31F3N2O2/c1-13(2)9-22(12-17(18,19)20)16(23)10-21-7-5-15(6-8-21)24-11-14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyUHRVJQIPMVMTRQ-UHFFFAOYSA-N
XLogP3.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 78903326) is 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)COC1CCN(CC(=O)N(CC(C)C)CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UHRVJQIPMVMTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F3N2O2/c1-13(2)9-22(12-17(18,19)20)16(23)10-21-7-5-15(6-8-21)24-11-14(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78903326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).