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

C11H13F3N4O — CID 62491297

IUPAC2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)C(F)(F)F
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)9(19)17-8-2-6-18(7-3-8)10-15-4-1-5-16-10/h1,4-5,8H,2-3,6-7H2,(H,17,19)
InChIKeyYXOMGZFPEUEPEX-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.12
Rot. Bonds2

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

2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (PubChem CID 62491297) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
PubChem CID62491297
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)C(F)(F)F
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)9(19)17-8-2-6-18(7-3-8)10-15-4-1-5-16-10/h1,4-5,8H,2-3,6-7H2,(H,17,19)
InChIKeyYXOMGZFPEUEPEX-UHFFFAOYSA-N
XLogP1.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (CID 62491297) is 2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is O=C(NC1CCN(c2ncccn2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is YXOMGZFPEUEPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)9(19)17-8-2-6-18(7-3-8)10-15-4-1-5-16-10/h1,4-5,8H,2-3,6-7H2,(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 274.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 62491297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).