1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one

C13H17F3N4O — CID 115584173

IUPAC1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
SMILESCC(Nc1nccc(C(F)(F)F)n1)C(=O)N1CCCCC1
InChIInChI=1S/C13H17F3N4O/c1-9(11(21)20-7-3-2-4-8-20)18-12-17-6-5-10(19-12)13(14,15)16/h5-6,9H,2-4,7-8H2,1H3,(H,17,18,19)
InChIKeyIIQFAYFLTDCVIV-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.31
Rot. Bonds3

About 1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one

1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one (PubChem CID 115584173) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
PubChem CID115584173
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
SMILESCC(Nc1nccc(C(F)(F)F)n1)C(=O)N1CCCCC1
InChIInChI=1S/C13H17F3N4O/c1-9(11(21)20-7-3-2-4-8-20)18-12-17-6-5-10(19-12)13(14,15)16/h5-6,9H,2-4,7-8H2,1H3,(H,17,18,19)
InChIKeyIIQFAYFLTDCVIV-UHFFFAOYSA-N
XLogP2.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547985
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47464136
N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47159154
2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid
CID 115596229
N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 103111436
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 113221365
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 115643799

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one (CID 115584173) is 1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one is CC(Nc1nccc(C(F)(F)F)n1)C(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one?
The InChIKey is IIQFAYFLTDCVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-9(11(21)20-7-3-2-4-8-20)18-12-17-6-5-10(19-12)13(14,15)16/h5-6,9H,2-4,7-8H2,1H3,(H,17,18,19).
What are the key properties of 1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one?
1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one has a molecular weight of 302.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one is sourced from PubChem (CID 115584173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).