2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C11H19F3N2O — CID 63374840

IUPAC2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(N(C)C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-8(2)16-6-4-9(5-7-16)15(3)10(17)11(12,13)14/h8-9H,4-7H2,1-3H3
InChIKeyZKWJCMXSVILINA-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.88
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 63374840) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID63374840
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(N(C)C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-8(2)16-6-4-9(5-7-16)15(3)10(17)11(12,13)14/h8-9H,4-7H2,1-3H3
InChIKeyZKWJCMXSVILINA-UHFFFAOYSA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 63374840) is 2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(N(C)C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is ZKWJCMXSVILINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8(2)16-6-4-9(5-7-16)15(3)10(17)11(12,13)14/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 252.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 63374840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).