2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide

C14H23F3N2O2 — CID 82794266

IUPAC2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NC2CCC(C(F)(F)F)NC2)C1C
InChIInChI=1S/C14H23F3N2O2/c1-7-8(2)21-9(3)12(7)13(20)19-10-4-5-11(18-6-10)14(15,16)17/h7-12,18H,4-6H2,1-3H3,(H,19,20)
InChIKeyZUMGATSHNVRYOV-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.85
Rot. Bonds2

About 2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide

2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide (PubChem CID 82794266) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide
PubChem CID82794266
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NC2CCC(C(F)(F)F)NC2)C1C
InChIInChI=1S/C14H23F3N2O2/c1-7-8(2)21-9(3)12(7)13(20)19-10-4-5-11(18-6-10)14(15,16)17/h7-12,18H,4-6H2,1-3H3,(H,19,20)
InChIKeyZUMGATSHNVRYOV-UHFFFAOYSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide (CID 82794266) is 2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide is CC1OC(C)C(C(=O)NC2CCC(C(F)(F)F)NC2)C1C.
What is the InChIKey of 2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide?
The InChIKey is ZUMGATSHNVRYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-7-8(2)21-9(3)12(7)13(20)19-10-4-5-11(18-6-10)14(15,16)17/h7-12,18H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide?
2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 82794266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).