1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone

C12H15F3N4O2 — CID 175818017

IUPAC1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccnc(OC(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F3N4O2/c1-8(20)19-6-3-9(4-7-19)17-10-2-5-16-11(18-10)21-12(13,14)15/h2,5,9H,3-4,6-7H2,1H3,(H,16,17,18)
InChIKeyKLOBLPNXKQRFPH-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.80
Rot. Bonds3

About 1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone

1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone (PubChem CID 175818017) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
PubChem CID175818017
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccnc(OC(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F3N4O2/c1-8(20)19-6-3-9(4-7-19)17-10-2-5-16-11(18-10)21-12(13,14)15/h2,5,9H,3-4,6-7H2,1H3,(H,16,17,18)
InChIKeyKLOBLPNXKQRFPH-UHFFFAOYSA-N
XLogP1.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone (CID 175818017) is 1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ccnc(OC(F)(F)F)n2)CC1.
What is the InChIKey of 1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is KLOBLPNXKQRFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-8(20)19-6-3-9(4-7-19)17-10-2-5-16-11(18-10)21-12(13,14)15/h2,5,9H,3-4,6-7H2,1H3,(H,16,17,18).
What are the key properties of 1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 304.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 175818017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).