1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone

C17H19N3O — CID 53013965

IUPAC1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H19N3O/c1-13(21)20-11-5-8-15(12-20)16-9-10-18-17(19-16)14-6-3-2-4-7-14/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3
InChIKeyAGOVEFDYUQZIRE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.87
Rot. Bonds2

About 1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone

1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 53013965) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID53013965
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H19N3O/c1-13(21)20-11-5-8-15(12-20)16-9-10-18-17(19-16)14-6-3-2-4-7-14/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3
InChIKeyAGOVEFDYUQZIRE-UHFFFAOYSA-N
XLogP2.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-phenylpyrimidin-4-yl)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-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 53013965) is 1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2ccnc(-c3ccccc3)n2)C1.
What is the InChIKey of 1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is AGOVEFDYUQZIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13(21)20-11-5-8-15(12-20)16-9-10-18-17(19-16)14-6-3-2-4-7-14/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3.
What are the key properties of 1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone?
1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 281.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53013965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).