2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide

C11H14F3N5O — CID 47156635

IUPAC2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)8-1-2-16-10(17-8)19-5-3-18(4-6-19)7-9(15)20/h1-2H,3-7H2,(H2,15,20)
InChIKeyRLXHMVCIKORGHQ-UHFFFAOYSA-N
MW289.26 g/mol
LogP0.10
Rot. Bonds3

About 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide

2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide (PubChem CID 47156635) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
PubChem CID47156635
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Name2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)8-1-2-16-10(17-8)19-5-3-18(4-6-19)7-9(15)20/h1-2H,3-7H2,(H2,15,20)
InChIKeyRLXHMVCIKORGHQ-UHFFFAOYSA-N
XLogP0.10
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide (CID 47156635) is 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide is NC(=O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
The InChIKey is RLXHMVCIKORGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c12-11(13,14)8-1-2-16-10(17-8)19-5-3-18(4-6-19)7-9(15)20/h1-2H,3-7H2,(H2,15,20).
What are the key properties of 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide has a molecular weight of 289.26 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 47156635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).