2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O2 — CID 96538890

IUPAC2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOC[C@@H]1CCCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-18-7-9-3-2-4-16(5-9)6-10(17)15-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyBNLVDURUHZTMIY-SECBINFHSA-N
MW268.28 g/mol
LogP1.02
Rot. Bonds5

About 2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 96538890) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID96538890
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOC[C@@H]1CCCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-18-7-9-3-2-4-16(5-9)6-10(17)15-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyBNLVDURUHZTMIY-SECBINFHSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 96538890) is 2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is COC[C@@H]1CCCN(CC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BNLVDURUHZTMIY-SECBINFHSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-18-7-9-3-2-4-16(5-9)6-10(17)15-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 96538890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).