1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one

C12H15F3N4O — CID 58228376

IUPAC1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one
SMILESNCC(c1cnc(C(F)(F)F)nc1)N1CCCC(=O)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-17-5-8(6-18-11)10(4-16)19-3-1-2-9(20)7-19/h5-6,10H,1-4,7,16H2
InChIKeyZWPGLCUBUCTWRW-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.16
Rot. Bonds3

About 1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one

1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one (PubChem CID 58228376) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one.

Molecular Properties

Compound Name1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one
PubChem CID58228376
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one
SMILESNCC(c1cnc(C(F)(F)F)nc1)N1CCCC(=O)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-17-5-8(6-18-11)10(4-16)19-3-1-2-9(20)7-19/h5-6,10H,1-4,7,16H2
InChIKeyZWPGLCUBUCTWRW-UHFFFAOYSA-N
XLogP1.16
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one?
The IUPAC name of 1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one (CID 58228376) is 1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one.
What is the SMILES notation for 1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one?
The canonical SMILES for 1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one is NCC(c1cnc(C(F)(F)F)nc1)N1CCCC(=O)C1.
What is the InChIKey of 1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one?
The InChIKey is ZWPGLCUBUCTWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)11-17-5-8(6-18-11)10(4-16)19-3-1-2-9(20)7-19/h5-6,10H,1-4,7,16H2.
What are the key properties of 1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one?
1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one has a molecular weight of 288.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-3-one is sourced from PubChem (CID 58228376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).