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

C12H15F3N4O — CID 49431027

IUPACN-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F3N4O/c1-8(20)17-9-3-6-19(7-4-9)11-16-5-2-10(18-11)12(13,14)15/h2,5,9H,3-4,6-7H2,1H3,(H,17,20)
InChIKeyHMUBHMCSWBSHMY-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.60
Rot. Bonds2

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

N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide (PubChem CID 49431027) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide
PubChem CID49431027
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC NameN-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F3N4O/c1-8(20)17-9-3-6-19(7-4-9)11-16-5-2-10(18-11)12(13,14)15/h2,5,9H,3-4,6-7H2,1H3,(H,17,20)
InChIKeyHMUBHMCSWBSHMY-UHFFFAOYSA-N
XLogP1.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide (CID 49431027) is N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The InChIKey is HMUBHMCSWBSHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-8(20)17-9-3-6-19(7-4-9)11-16-5-2-10(18-11)12(13,14)15/h2,5,9H,3-4,6-7H2,1H3,(H,17,20).
What are the key properties of N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide?
N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide has a molecular weight of 288.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 49431027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).